SCHEMBL3781476

SCHEMBL3781476

CCSc1cccc(SCC)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
AOC3 Q16853 1/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
NPC1 O15118 1/20 0.33
ATM Q13315 1/20 0.33
SLC6A4 P31645 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL9793625 0.78 S100A4 (0.41) HPGDADORA3ADORA2AADORA1AOC3
SCHEMBL29707978 0.78 RAB9A (0.42) HPGDNPC1LMNAMEN1CYP1A2
SCHEMBL3790646 0.78 RAB9A (0.42) HPGDNPC1LMNAMEN1CYP1A2
SCHEMBL3780613 0.78 ALDH1A1 (0.38) HPGDADORA3ADORA2AADORA1LMNA
SCHEMBL8088430 0.78 ALDH1A1 (0.43) LMNAHTTALDH1A1
SCHEMBL201555 0.77 S100A4 (0.38) HPGDADORA3ADORA2AADORA1AOC3
SCHEMBL18708593 0.77 ELANE (0.36) HPGDADORA3ADORA2AADORA1AOC3
SCHEMBL9177177 0.76 HSP90AA1 (0.37) HPGDLMNAMEN1KMT2AALDH1A1
SCHEMBL3793543 0.76 ALDH1A1 (0.38) HPGDAOC3HTR2CSLC6A4LMNA
SCHEMBL201556 0.75 GABRA1 (0.48) HPGDADORA3ADORA2AADORA1LMNA

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 2790/4885ADORA3 1301/4885ADORA2A 2101/4885

“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.