SCHEMBL5057795

SCHEMBL5057795

CCOC(=O)c1csc(C2CCN(C(=O)Cc3ccccc3Cl)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.49
KDM4E B2RXH2 2/20 0.48
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
CASP3 P42574 1/20 0.46
CASP7 P55210 1/20 0.46
CASP8 Q14790 1/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 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
SCHEMBL5061924 0.90 ALDH1A1 (0.45) PPARGKDM4EAPOBEC3AAPOBEC3GMAPT
SCHEMBL5062062 0.86 ALDH1A1 (0.48) PPARGKDM4EMAPTKMT2AALDH1A1
SCHEMBL1228591 0.83 FAAH (0.42) PPARGKDM4EAPOBEC3AAPOBEC3GCASP3
SCHEMBL2773331 0.83 CASP3 (0.47) PPARGCASP3CASP7CASP8MAPT
SCHEMBL1884146 0.79 CASP3 (0.48) PPARGCASP3CASP7CASP8MAPT
SCHEMBL2578514 0.79 CCR5 (0.41) PPARGKDM4EMAPTKMT2AALDH1A1
SCHEMBL3594917 0.78 SMN1; SMN2 (0.51) KDM4ECASP3CASP7CASP8NPC1
SCHEMBL9109184 0.77 SPR (0.44) KDM4EAPOBEC3AAPOBEC3GKMT2AMEN1
SCHEMBL12636272 0.77 CCR1 (0.46) PPARGKDM4EKMT2AALDH1A1
SCHEMBL2774105 0.77 RAB9A (0.50) PPARGKDM4ECASP3CASP7CASP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306114-A1 Human G Protein-Coupled Receptor and Modulators Thereof for the Treatment of Hyperglycemia and Related Disorders ARENA PHARMACEUTICALS, INC (US) 2008-12-11 US disclosed
US-20070231263-A1 Human G protein-coupled receptor and modulators thereof for the treatment of hyperglycemia and related disorders ARENA PHARMACEUTICALS, INC. 2007-10-04 US disclosed
EP-1735622-A2 MODULATORS OF HUMAN G PROTEIN-COUPLED RECEPTORS FOR THE TREATMENT OF HYPERGLYCEMIA AND RELATED DISORDERS Arena Pharmaceuticals, Inc. (US) 2006-12-27 EP disclosed
EP-1687288-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2006-08-09 EP disclosed
WO-2005116653-A2 MODULATORS OF HUMAN G PROTEIN-COUPLED RECEPTORS FOR THE TREATMENT OF HYPERGLYCEMIA AND RELATED DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2005-12-08 WO disclosed
WO-2005037809-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2005-04-28 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-20070231263-A1 Human G protein-coupled receptor and modulators thereof for the treatment of hyperglycemia and related disorders GPR119, GCGR, GLP1R PPARG 101/4885KDM4E 3633/4885APOBEC3A 4512/4885
US-20080306114-A1 Human G Protein-Coupled Receptor and Modulators Thereof for the Treatment of Hyperglycemia and Related Disorders GPR119, GCGR, GLP1R PPARG 101/4885KDM4E 3633/4885APOBEC3A 4512/4885

“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.