SCHEMBL3787206

SCHEMBL3787206

CSc1ccc(Cl)cc1SC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.46
HPGD P15428 5/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.44
PLA2G1B P04054 1/20 0.44
HSP90AA1 P07900 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
HIF1A Q16665 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL8779862 0.82 ITGB2 (0.50) CCR2HPGDALDH1A1HSD17B10MEN1
SCHEMBL1145559 0.82 TP53 (0.48) CCR2HPGDALDH1A1HTTALOX15
SCHEMBL18850253 0.80 CCR2 (0.46) CCR2HPGDALDH1A1HTTALOX15
SCHEMBL31396637 0.80 CCR2 (0.44) CCR2HPGDALDH1A1HTTALOX15
SCHEMBL8492853 0.80 CYP3A4 (0.48) CCR2HPGDALDH1A1HTTALOX15
SCHEMBL8489299 0.80 CCR2 (0.44) CCR2HPGDALDH1A1HTTALOX15
SCHEMBL110557 0.78 ALDH1A1 (0.52) CCR2HPGDALDH1A1ALOX15HSD17B10
SCHEMBL16954941 0.78 CCR2 (0.42) CCR2HPGDALDH1A1HTTALOX15
SCHEMBL3783594 0.78 CYP3A4 (0.52) CCR2HPGDALDH1A1HTTALOX15
SCHEMBL20734681 0.78 CCR2 (0.53) CCR2HPGDALDH1A1HTTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
US-4786739-A SULFIDING E. I. DUPONT DE NEMOURS AND COMPANY (US) 1988-11-22 US disclosed
EP-0146610-A4 SUBSTITUTED BENZOPENTATHIEPINS, PROCESS THEREFOR AND INTERMEDIATES. DU PONT (US) 1986-02-20 EP disclosed
US-4571404-A PLANT HERBICIDE, FUNGICIDE OR VIRICIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-02-18 US disclosed
EP-0146610-A1 SUBSTITUTED BENZOPENTATHIEPINS, PROCESS THEREFOR AND INTERMEDIATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-07-03 EP disclosed
WO-1984004921-A1 SUBSTITUTED BENZOPENTATHIEPINS, PROCESS THEREFOR AND INTERMEDIATES DU PONT (US) 1984-12-20 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 (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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 CCR2 2329/4885HPGD 2790/4885ALDH1A1 4339/4885

“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.