SCHEMBL6505407

SCHEMBL6505407

CCNS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
CA1 P00915 3/20 0.61
CA2 P00918 3/20 0.61
CA12 O43570 1/20 0.61
CA3 P07451 1/20 0.61
CA4 P22748 1/20 0.61
CA6 P23280 1/20 0.61
CA5A P35218 1/20 0.61
CA7 P43166 1/20 0.61
CA9 Q16790 1/20 0.61
CA13 Q8N1Q1 1/20 0.61
CA14 Q9ULX7 1/20 0.61
CA5B Q9Y2D0 1/20 0.61
TSHR P16473 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
CYP2C9 P11712 1/20 0.59
CYP19A1 P11511 1/20 0.56
KDM4E B2RXH2 1/20 0.56
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55

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
SCHEMBL11511836 0.89 ALDH1A1 (0.83) ALDH1A1CA1CA2CA12CA9
SCHEMBL3055959 0.85 ALDH1A1 (0.70) ALDH1A1CA1CA2CA12CA9
SCHEMBL11883523 0.84 CA1 (0.68) ALDH1A1CA1CA2CA12CA3
SCHEMBL13296438 0.81 TSHR (0.63) ALDH1A1CA1CA2CA12CA9
SCHEMBL15836430 0.81 ALDH1A1 (0.70) ALDH1A1CA1CA2CA12CA9
SCHEMBL126985 0.81 ALDH1A1 (1.00) ALDH1A1CA1CA2CA12CA9
SCHEMBL27548886 0.81 CA1 (0.58) ALDH1A1CA1CA2CA12CA3
SCHEMBL12022527 0.80 CA1 (0.57) ALDH1A1CA1CA2CA12CA3
SCHEMBL9231104 0.80 ALDH1A1 (0.63) ALDH1A1CA1CA2CA12CA9
SCHEMBL13314764 0.80 TSHR (0.61) ALDH1A1TSHRNPSR1KDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023219007-A1 THERMOSETTING RESIN COMPOSITION, MOLDED ARTICLE, MOLDING MATERIAL FOR FIBER-REINFORCED COMPOSITE MATERIAL, AND FIBER-REINFORCED COMPOSITE MATERIAL 東レ株式会社 2023-11-16 WO disclosed
US-20170290809-A1 ANTIVIRAL AGENTS AND USES THEREOF GRIFFITH UNIVERSITY (AU) 2017-10-12 US disclosed
EP-2884982-B1 SUBSTITUTED PHENYL SPLEEN TYROSINE KINASE (Syk) INHIBITORS MERCK SHARP & DOHME (US) 2017-09-20 EP disclosed
EP-2197879-B1 C7-SUBSTITUTED CAMPTOTHECIN ANALOGS BIONUMERIK PHARMACEUTICALS INC (US) 2014-01-22 EP disclosed
EP-2518052-A1 Substituted 4-aminocyclohexane derivatives Grünenthal GmbH (DE) 2012-10-31 EP disclosed
EP-2502907-A1 Substituted 4-aminocyclohexane derivatives Grünenthal GmbH (DE) 2012-09-26 EP disclosed
US-20120202810-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2012-08-09 US disclosed
US-7687496-B2 C7-substituted camptothecin analogs BIONUMERIK PHARMACEUTICALS, INC. (US) 2010-03-30 US disclosed
US-7687496-B2 C7-substituted camptothecin analogs BIONUMERIK PHARMACEUTICALS, INC. (US) 2010-03-30 US disclosed
US-7635683-B2 Quinoxalinyl tripeptide hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
US-20090099224-A1 C7- substituted camptothecin analogs BIONUMERIK PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090099224-A1 C7- substituted camptothecin analogs BIONUMERIK PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20080317712-A1 ARYLPIPERIDINYL AND ARYLPYRROLIDINYL TRIPEPTIDE HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-12-25 US disclosed
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2008-02-07 US disclosed
US-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-06-30 US disclosed
WO-2003037271-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS,INC. (US) 2003-05-08 WO disclosed
US-5614519-A (1-(2,3 or 4-N-morpholinoalkyl)-imidazol-4-yl)-benizimidazol-1-yl-methyl]-biphenyls useful as angiotensin-II antagonists KARL THOMAE GMBH (DE) 1997-03-25 US disclosed
US-5602127-A ADMINISTERING TO TREAT HYPERTENSION KARL THOMAE GMBH (DE) 1997-02-11 US disclosed
US-5594003-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-14 US disclosed
US-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 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 (6 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-20170290809-A1 ANTIVIRAL AGENTS AND USES THEREOF RNASE1, ENTPD5, ACE ALDH1A1 923/4885CA1 2016/4885CA2 1463/4885
US-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor CCR8, CCL11, CCR5 ALDH1A1 1071/4885CA1 2707/4885CA2 2341/4885
US-20120202810-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 ALDH1A1 620/4885CA1 2538/4885CA2 2018/4885
US-20080317712-A1 ARYLPIPERIDINYL AND ARYLPYRROLIDINYL TRIPEPTIDE HEPATITIS C SERINE PROTEASE INHIBITORS PREP, DNPEP, CTSC ALDH1A1 890/4885CA1 3162/4885CA2 2971/4885
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors VIP, CTSC, PREP ALDH1A1 1229/4885CA1 1506/4885CA2 1722/4885
US-20090099224-A1 C7- substituted camptothecin analogs ABCB1, ABCC1, ABCG2 ALDH1A1 979/4885CA1 2729/4885CA2 4105/4885

“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.