SCHEMBL5081101

SCHEMBL5081101

O=C(O)CCC(=O)c1cc(F)cc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.54
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
ALDH1A1 P00352 3/20 0.48
CYP2C19 P33261 2/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP1A2 P05177 3/20 0.47
RAB9A P51151 2/20 0.47
FFAR1 O14842 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
USP5 P45974 1/20 0.44
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HCAR1 Q9BXC0 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5080184 0.88 HDAC3 (0.55) NR4A2CES2CES1RAB9ALMNA
SCHEMBL29399457 0.87 NR4A2 (0.46) NR4A2CES2CES1ALDH1A1CYP2C19
SCHEMBL22097301 0.87 KMT2A (0.55) NR4A2CES2CES1ALDH1A1CYP2C19
SCHEMBL28629610 0.87 NR4A2 (0.46) NR4A2CES2CES1ALDH1A1CYP2C19
SCHEMBL30416829 0.82 ALDH1A1 (0.55) NR4A2ALDH1A1CYP2C19KMT2ACYP1A2
SCHEMBL20703168 0.81 CES2 (0.52) NR4A2CES2CES1ALDH1A1CYP2C19
SCHEMBL2691520 0.80 NR4A2 (0.62) NR4A2CES2CES1ALDH1A1CYP2C19
SCHEMBL7220761 0.80 CES1 (0.52) CES2CES1KMT2ARAB9ALMNA
SCHEMBL31413025 0.79 CES2 (0.46) NR4A2CES2CES1RAB9AHCAR1
SCHEMBL31585604 0.79 HCAR2 (0.61) NR4A2ALDH1A1CYP2C19GAAKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025151884-A1 USE OF GLYCOSAMINOGLYCAN SULFATED POLYSACCHARIDES SUCH AS SODIUM PENTOSAN POLYSULFATE IN COMBINATION WITH PERMEATION AGENTS TO TREAT ALZHEIMER'S DISEASE PARSONS C LOWELL (US) 2025-07-17 WO claimed
US-20170189443-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES AND CONDITIONS EMPLOYING ORAL ADMINISTRATION OF SODIUM PENTOSAN POLYSULFATE AND OTHER PENTOSAN POLYSULFATE SALTS PLATINUM MONTAUR LIFE SCIENCES, LLC AND AS AGENT (KY) 2017-07-06 US claimed
EP-3110427-A1 COMPOSITIONS OF PENTOSAN POLYSULFATE SALTS FOR ORAL ADMINISTRATION AND METHODS OF USE Urigen Pharmaceuticals, Inc. (US) 2017-01-04 EP claimed
EP-1745004-B1 ARYL KETONE COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2016-05-18 EP claimed
WO-2015127416-A1 COMPOSITIONS OF PENTOSAN POLYSULFATE SALTS FOR ORAL ADMINISTRATION AND METHODS OF USE URIGEN PHARMACEUTICALS, INC. (US) 2015-08-27 WO claimed
US-9035085-B2 Aryl ketone compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2015-05-19 US claimed
US-20080167217-A1 aryl ketone compounds and compositions containing them which facilitate the delivery of active agents. The aryl ketone compounds have the formula** Image-1or a salt thereof, where n=1 to 9, and R1 to R5 are independently hydrogen, C1 to C4 alkyl, C1 to C4 alkoxy, C2 to C4 alkenyl, halogen, hydroxyl, EMISPHERE TECHNOLOGIES, INC. (US) 2008-07-10 US claimed
WO-2025151884-A1 USE OF GLYCOSAMINOGLYCAN SULFATED POLYSACCHARIDES SUCH AS SODIUM PENTOSAN POLYSULFATE IN COMBINATION WITH PERMEATION AGENTS TO TREAT ALZHEIMER'S DISEASE PARSONS C LOWELL (US) 2025-07-17 WO disclosed
US-11685740-B2 Bicyclic nitrogen-containing heterocyclic derivatives and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2023-06-27 US disclosed
CN-110072862-B Bicyclic nitrogen-containing heterocyclic derivative and pharmaceutical composition containing the same 盐野义制药株式会社 2022-05-13 CN disclosed
US-20210317125-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2021-10-14 US disclosed
US-11066409-B2 Bicyclic nitrogen-containing heterocyclic derivatives and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2021-07-20 US disclosed
US-20200048257-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2020-02-13 US disclosed
US-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2009-05-21 US disclosed
US-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2009-05-21 US disclosed
US-20080255250-A1 Compounds and Compositions for Delivering Active Agents EMISPHERE TECHNOLOGIES, INC. (US) 2008-10-16 US disclosed
US-20080255250-A1 Compounds and Compositions for Delivering Active Agents EMISPHERE TECHNOLOGIES, INC. (US) 2008-10-16 US disclosed
US-20080167217-A1 aryl ketone compounds and compositions containing them which facilitate the delivery of active agents. The aryl ketone compounds have the formula** Image-1or a salt thereof, where n=1 to 9, and R1 to R5 are independently hydrogen, C1 to C4 alkyl, C1 to C4 alkoxy, C2 to C4 alkenyl, halogen, hydroxyl, EMISPHERE TECHNOLOGIES, INC. (US) 2008-07-10 US disclosed
US-20080167217-A1 aryl ketone compounds and compositions containing them which facilitate the delivery of active agents. The aryl ketone compounds have the formula** Image-1or a salt thereof, where n=1 to 9, and R1 to R5 are independently hydrogen, C1 to C4 alkyl, C1 to C4 alkoxy, C2 to C4 alkenyl, halogen, hydroxyl, EMISPHERE TECHNOLOGIES, INC. (US) 2008-07-10 US disclosed
WO-2007111994-A2 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2007-10-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS NR1H3, NR1H2, SREBF1 NR4A2 395/4885CES2 918/4885CES1 81/4885
US-20200048257-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX7, P2RX2, P2RX5 NR4A2 228/4885CES2 3124/4885CES1 3804/4885
US-11685740-B2 Bicyclic nitrogen-containing heterocyclic derivatives and pharmaceutical composition comprising the same P2RX7, P2RX2, P2RX1 NR4A2 172/4885CES2 1859/4885CES1 1677/4885
US-11066409-B2 Bicyclic nitrogen-containing heterocyclic derivatives and pharmaceutical composition comprising the same P2RX7, P2RX2, P2RX5 NR4A2 228/4885CES2 3124/4885CES1 3804/4885
US-20210317125-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX7, P2RX2, P2RX1 NR4A2 172/4885CES2 1859/4885CES1 1677/4885
US-20170189443-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES AND CONDITIONS EMPLOYING ORAL ADMINISTRATION OF SODIUM PENTOSAN POLYSULFATE AND OTHER PENTOSAN POLYSULFATE SALTS SI, SLC20A1, SLC20A2 NR4A2 3782/4885CES2 3438/4885CES1 3038/4885
US-20080255250-A1 Compounds and Compositions for Delivering Active Agents SERPINB1, ELANE, MMP8 NR4A2 3277/4885CES2 55/4885CES1 490/4885
US-20080167217-A1 aryl ketone compounds and compositions containing them which facilitate the delivery of active agents. The aryl ketone compounds have the formula** Image-1or a salt thereof, where n=1 to 9, and R1 to R5 are independently hydrogen, C1 to C4 alkyl, C1 to C4 alkoxy, C2 to C4 alkenyl, halogen, hydroxyl, AKR1C3, AKR1C1, AKR1A1 NR4A2 738/4885CES2 537/4885CES1 85/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.