SCHEMBL3527017

SCHEMBL3527017

O=C(O)CCC(=O)c1ccc(F)cc1F

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.57
CES1 P23141 3/20 0.57
ACKR3 P25106 9/20 0.55
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NR4A2 P43354 1/20 0.42
DRD2 P14416 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
SCHEMBL31661842 1.00 CES2 (0.57) CES2CES1ACKR3KMT2AMEN1
SCHEMBL5084694 0.85 CES2 (0.57) CES2CES1ACKR3KMT2AMEN1
SCHEMBL11582932 0.84 HTT (0.49) CES2CES1ACKR3KMT2AMEN1
SCHEMBL4707612 0.83 CES2 (0.59) CES2CES1ACKR3KDM4EALDH1A1
SCHEMBL14053155 0.82 KMT2A (0.70) ACKR3KMT2AMEN1HTTKDM4E
SCHEMBL4091424 0.82 HTT (0.62) CES2CES1ACKR3KMT2AMEN1
SCHEMBL29788741 0.82 CES2 (0.53) CES2CES1ACKR3HTTKDM4E
SCHEMBL3892255 0.82 CES2 (0.53) CES2CES1ACKR3HTTKDM4E
SCHEMBL22097313 0.82 PKM (0.49) CES2CES1ACKR3KMT2AMEN1
SCHEMBL20268270 0.82 CES2 (0.53) CES2CES1ACKR3DRD2

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 61 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
WO-2019077627-A1 A PROCESS FOR THE MANUFACTURE OF POSACONAZOLE METROCHEM API PVT LTD. (IN) 2019-04-25 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-3060559-A2 IMPROVED PROCESS FOR THE PREPARATION OF ((3S,5R)-5-((1H-1,2,4-TRIAZOL-1-YL)METHYL)-5-(2,4-DIFLUOROPHENYL)TETRAHYDROFURAN-3-YL)METHYL-4-METHYLBENZENESULFONATE MSN Laboratories Private Limited (IN) 2016-08-31 EP claimed
US-20160237066-A1 IMPROVED PROCESS FOR THE PREPARATION OF ((3S,5R)-5-((1H-1,2,4-TRIAZOL-1-YL)METHYL)-5-(2,4-DIFLUOROPHENYL)TETRAHYDROFURAN-3-YL)METHYL-4-METHYLBENZENESULFONATE MSN LABORATORIES PRIVATE LIMITED (IN) 2016-08-18 US 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
WO-2015059716-A2 IMPROVED PROCESS FOR THE PREPARATION OF ((3S,5R)-5-((1H-1,2,4-TRIAZOL-1-YL)METHYL)-5-(2,4-DIFLUOROPHENYL)TETRAHYDROFURAN-3-YL)METHYL-4-METHYLBENZENESULFONATE MSN LABORATORIES PRIVATE LIMITED (IN) 2015-04-30 WO claimed
US-7691889-B2 Antimycobacterial compounds LUPIN LIMITED (IN) 2010-04-06 US claimed
WO-2009141837-A2 PROCESS FOR PREPARING POSACONAZOLE AND INTERMEDIATES THEREOF IND-SWIFT LABORATORIES LIMITED (IN) 2009-11-26 WO 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
US-20050192275-A1 Novel antimycobacterial compounds LUPIN LIMITED (IN) 2005-09-01 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
WO-2023173717-A1 PREPARATION METHOD FOR INTERMEDIATE COMPOUND ACTING AS SYNTHETIC POSACONAZOLE, AND INTERMEDIATE COMPOUND PREPARED THEREBY 浙江奥翔药业股份有限公司 2023-09-21 WO disclosed
WO-2019077627-A1 A PROCESS FOR THE MANUFACTURE OF POSACONAZOLE METROCHEM API PVT LTD. (IN) 2019-04-25 WO disclosed
WO-2004026848-A1 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPERATION AND THEIR USE AS ANTIMYCOBACTERIAL AGENTS LUPIN LIMITED (IN) 2004-04-01 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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 (4 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-20160237066-A1 IMPROVED PROCESS FOR THE PREPARATION OF ((3S,5R)-5-((1H-1,2,4-TRIAZOL-1-YL)METHYL)-5-(2,4-DIFLUOROPHENYL)TETRAHYDROFURAN-3-YL)METHYL-4-METHYLBENZENESULFONATE CYP4B1, CYP1B1, CYP51A1 CES2 2157/4885CES1 163/4885ACKR3 4696/4885
US-20050192275-A1 Novel antimycobacterial compounds MDH1, IMMT, MLYCD CES2 4353/4885CES1 4065/4885ACKR3 3724/4885
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 CES2 3438/4885CES1 3038/4885ACKR3 400/4885
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 CES2 537/4885CES1 85/4885ACKR3 596/4885

“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.