SCHEMBL3795007

SCHEMBL3795007

CCSc1ccc(Cl)cc1SCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 2/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
PLA2G1B P04054 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CYP2D6 P10635 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
CCR2 P41597 1/20 0.39
MAPK1 P28482 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL18793099 0.84 ITGB2 (0.47) HPGDCYP2C9CYP2C19ALDH1A1ALOX15
SCHEMBL20429069 0.82 ALDH1A1 (0.39) HPGDCYP2C9CYP2C19ALDH1A1ALOX15
SCHEMBL8492081 0.82 CYP3A4 (0.45) HPGDCYP2C9CYP2C19ALDH1A1ALOX15
SCHEMBL16676455 0.82 CYP3A4 (0.40) HPGDCYP2C9CYP2C19ALDH1A1ALOX15
SCHEMBL3789429 0.80 CYP3A4 (0.48) HPGDCYP2C9CYP2C19ALDH1A1ALOX15
SCHEMBL3781267 0.80 SLC6A2 (0.51) HPGDALDH1A1ALOX15CYP3A4KMT2A
SCHEMBL27999924 0.77 CCR2 (0.47) ALDH1A1MEN1KMT2ACCR2SMN1; SMN2
SCHEMBL1196194 0.77 DDR1 (0.40) HPGDCYP2C9CYP2C19ALOX15CYP3A4
SCHEMBL16885084 0.77 LMNA (0.45) HPGDALDH1A1MEN1KMT2AMAPK1
SCHEMBL10541202 0.76 AOC3 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2SLC6A4

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 2 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

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 HPGD 2790/4885CYP2C9 157/4885CYP2C19 196/4885

“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.