SCHEMBL4587587

SCHEMBL4587587

O=C(O)c1cccc2sc3ccccc3c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 2/20 0.51
RXFP1 Q9HBX9 2/20 0.51
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
MCL1 Q07820 5/20 0.47
ALDH1A1 P00352 3/20 0.46
ALOX15 P16050 1/20 0.46
GPR3 P46089 1/20 0.46
PARP1 P09874 1/20 0.46
CDC25B P30305 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA5A P35218 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
SCHEMBL29450544 1.00 PRNP (0.51) PRNPRXFP1NR4A1NR4A2NR4A3
SCHEMBL2021523 0.88 MAOA (0.50) PRNPRXFP1NR4A1NR4A2NR4A3
SCHEMBL1576800 0.84 AKR1C3 (0.47) PRNPRXFP1MCL1ALDH1A1GPR3
SCHEMBL7115218 0.84 LIMK1 (0.50) PRNPRXFP1MCL1ALDH1A1GPR3
SCHEMBL4585398 0.84 GPR3 (0.45) PRNPRXFP1MCL1ALDH1A1ALOX15
SCHEMBL11398888 0.84 GPR3 (0.45) PRNPRXFP1MCL1ALDH1A1GPR3
Hydrochloric Acid SCHEMBL7420697 0.82 LIMK1 (0.49) PRNPRXFP1MCL1ALDH1A1GPR3
SCHEMBL30075101 0.81 GPR3 (0.46) PRNPRXFP1NR4A1NR4A2NR4A3
SCHEMBL11812063 0.81 GPR3 (0.42) PRNPRXFP1MCL1ALDH1A1ALOX15
SCHEMBL87423 0.81 PRNP (0.48) PRNPRXFP1NR4A1NR4A2NR4A3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105176570-A Ionic-liquid-based oxidative extraction desulfurization method UNIV EAST CHINA SCIENCE & TECH 2015-12-23 CN disclosed
CN-100532374-C Novel tricyclic compounds useful for the treatment of inflammatory and allergic disorders, process for their preparation and pharmaceutical compositions containing same GLENMARK PHARMACEUTICALS LTD (IN) 2009-08-26 CN disclosed
US-20080096848-A1 N-(2-(1H-Pyrazol-1-yl)-phenyl)-9H-fluorene-1-carboxamide for example; treating proliferative diseases such as cancer, viral diseases, inflammatory bowel disease, rheumatoid arthritis, psoriasis; combination therapy with other known anticancer drugs CYTOVIA INC. (CA) 2008-04-24 US disclosed
EP-1804786-A4 SUBSTITUTED N-ARYL-9-OXO-9H-FLUORENE-1-CARBOXAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2008-01-02 EP disclosed
EP-1804786-A2 SUBSTITUTED N-ARYL-9-OXO-9H-FLUORENE-1-CARBOXAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Cytovia, Inc. (US) 2007-07-11 EP disclosed
WO-2006039356-A2 SUBSTITUTED N-ARYL-9-OXO-9H-FLUORENE-1-CARBOXAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA, INC. (US) 2006-04-13 WO disclosed
CN-1729181-A Novel tricyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS LTD (IN) 2006-02-01 CN disclosed
EP-0346029-B1 AROMATIC CARBOXYLIC ACIDS Nippon Steel Corporation (JP) 1993-01-27 EP disclosed
US-5081252-A PROCESS FOR THE PREPARATION OF AROMATIC CARBOXYLIC ACIDS NIPPON STEEL CORPORATION (JP) 1992-01-14 US disclosed
EP-0346029-A1 Aromatic carboxylic acids Nippon Steel Corporation (JP) 1989-12-13 EP 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 (1 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-20080096848-A1 N-(2-(1H-Pyrazol-1-yl)-phenyl)-9H-fluorene-1-carboxamide for example; treating proliferative diseases such as cancer, viral diseases, inflammatory bowel disease, rheumatoid arthritis, psoriasis; combination therapy with other known anticancer drugs CASP1, CASP9, CASP14 PRNP 1055/4885RXFP1 74/4885NR4A1 620/4885

“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.