SCHEMBL5657924

SCHEMBL5657924

O=C(NCCOCCO)c1ccccc1Br

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.62
HTT P42858 2/20 0.62
NLRP3 Q96P20 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
SIGMAR1 Q99720 1/20 0.50
MAPT P10636 2/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 4/20 0.47
GAA P10253 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.47
P2RX7 Q99572 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL31661799 1.00 HPGD (0.62) HPGDHTTNLRP3SMN1; SMN2SIGMAR1
SCHEMBL18235578 0.89 SMN1; SMN2 (0.59) HPGDHTTSMN1; SMN2MAPTRAB9A
SCHEMBL5657977 0.83 MEN1 (0.58) HPGDHTTSMN1; SMN2MAPTRAB9A
SCHEMBL5657148 0.82 SMN1; SMN2 (0.51) HPGDHTTSMN1; SMN2RAB9AALDH1A1
SCHEMBL31661721 0.82 SMN1; SMN2 (0.51) HPGDHTTSMN1; SMN2RAB9AALDH1A1
SCHEMBL5655209 0.82 NPC1 (0.65) HPGDSMN1; SMN2SIGMAR1RAB9APOLB
SCHEMBL13162943 0.82 NPC1 (0.59) HPGDHTTSMN1; SMN2MAPTRAB9A
SCHEMBL7678490 0.82 ALDH1A1 (0.59) HPGDHTTSMN1; SMN2RAB9AALDH1A1
SCHEMBL13299189 0.82 SMN1; SMN2 (0.51) HPGDSMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL21299247 0.79 SMN1; SMN2 (0.49) HPGDHTTSMN1; SMN2RAB9AALDH1A1

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 12 patents. 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
CN-106456662-A Compositions of pentosan polysulfate for oral administration and methods of use thereof 奥利金制药公司 2017-02-22 CN 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-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 disclosed
CN-106456662-A Compositions of pentosan polysulfate for oral administration and methods of use thereof 奥利金制药公司 2017-02-22 CN disclosed
US-20090324540-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2009-12-31 US disclosed
US-20090324540-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2009-12-31 US disclosed
US-7553872-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2009-06-30 US disclosed
US-7553872-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2009-06-30 US disclosed
US-7071214-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2006-07-04 US disclosed
WO-1998034632-A9 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 1999-09-02 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 (2 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-20090324540-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS ABCB4, ABCB7, ALPP HPGD 726/4885HTT 860/4885NLRP3 3921/4885
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 HPGD 1489/4885HTT 345/4885NLRP3 1765/4885

“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.