SCHEMBL930716

SCHEMBL930716

CC(C(N)=O)C1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.56
ALOX5 P09917 1/20 0.40
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
MMP2 P08253 2/20 0.38
CA9 Q16790 2/20 0.38
ALDH1A1 P00352 1/20 0.36
DPP4 P27487 1/20 0.36
TP53 P04637 1/20 0.34

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
SCHEMBL27666541 0.98 EPHX1 (0.60) EPHX1ALOX5CA12CA1CA2
SCHEMBL931217 0.98 EPHX1 (0.60) EPHX1ALOX5CA12CA1CA2
SCHEMBL885301 0.98 EPHX1 (0.60) EPHX1ALOX5CA12CA1CA2
SCHEMBL2055562 0.98 EPHX1 (0.60) EPHX1ALOX5CA12CA1CA2
Hydrochloric Acid SCHEMBL5392442 0.95 EPHX1 (0.58) EPHX1ALOX5CA12CA1CA2
Hydrochloric Acid SCHEMBL6758598 0.95 EPHX1 (0.58) EPHX1ALOX5CA12CA1CA2
SCHEMBL5973016 0.95 EPHX1 (0.58) EPHX1ALOX5CA12CA1CA2
SCHEMBL930588 0.95
Hydrochloric Acid SCHEMBL5928655 0.93 EPHX1 (0.56) EPHX1ALOX5CA12CA1CA2
SCHEMBL11682920 0.90 ALOX5 (0.48) EPHX1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC (US) 2011-05-26 US claimed
US-20100087440-A1 Phosphatidylinositol 3-Kinase Inhibitors and Methods of Their Use EXELIXIS, INC. 2010-04-08 US claimed
US-20060079543-A1 Anilino-pyrimidine analogs WYETH (US) 2006-04-13 US claimed
CN-1434803-A Cyclic lactams as inhibitors os A-alpha protein production BRISTOL MYERS SQUIBB CO (US) 2003-08-06 CN claimed
US-20240116910-A1 Heterocycles as WIP1 Inhibitors PMV PHARMACEUTICALS, INC. 2024-04-11 US disclosed
US-9771372-B2 Compounds useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2017-09-26 US disclosed
US-20170204098-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2017-07-20 US disclosed
EP-2758370-A1 PARP INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-30 EP disclosed
WO-2013030205-A1 PARP INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
EP-2440558-A1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2011000945-A2 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-01-06 WO disclosed
WO-2010144486-A1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed
EP-1805181-A1 PURINE DERIVATIVES FOR USE AS ADENOSIN A-2A RECEPTOR AGONISTS Novartis AG (CH) 2007-07-11 EP disclosed
US-20070117859-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2007-05-24 US disclosed
US-7164019-B2 Such as cyclopentanecarboxylic acid {(S)-1-phenyl-3-[5-(pyridine-3-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-propyl}-amide; antagonists of chemokine receptors, useful for treating/preventing human immunodeficiency virus infection, AIDS or ARC ROCHE PALO ALTO LLC (US) 2007-01-16 US disclosed
WO-2006045552-A1 PURINE DERIVATIVES FOR USE AS ADENOSIN A-2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2006-05-04 WO disclosed
US-20060079543-A1 Anilino-pyrimidine analogs WYETH (US) 2006-04-13 US disclosed
US-20060014767-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-01-19 US disclosed
CN-1434803-A Cyclic lactams as inhibitors os A-alpha protein production BRISTOL MYERS SQUIBB CO (US) 2003-08-06 CN disclosed
US-6414013-B1 KINASE INHIBITORS; ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-07-02 US 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 (7 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-20100087440-A1 Phosphatidylinositol 3-Kinase Inhibitors and Methods of Their Use PIK3CA, PIK3CB, PIK3CG EPHX1 2765/4885ALOX5 2682/4885CA12 1791/4885
US-20170204098-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B EPHX1 2721/4885ALOX5 2602/4885CA12 2175/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K EPHX1 1929/4885ALOX5 4609/4885CA12 3761/4885
US-20060079543-A1 Anilino-pyrimidine analogs DPYD, TYMP, ADORA3 EPHX1 1758/4885ALOX5 2966/4885CA12 4839/4885
US-20060014767-A1 Heterocyclic antiviral compounds CCR5, ACKR3, CXCR1 EPHX1 2342/4885ALOX5 453/4885CA12 4740/4885
US-20240116910-A1 Heterocycles as WIP1 Inhibitors WAPL, WHR1, G3BP1 EPHX1 1796/4885ALOX5 4315/4885CA12 4637/4885
US-20070117859-A1 Heterocyclic antiviral compounds CCR5, ACKR3, CXCR1 EPHX1 2342/4885ALOX5 453/4885CA12 4740/4885

“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.