SCHEMBL3783535

SCHEMBL3783535

CSc1cc(SC)cc(B(O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.35
LPL P06858 2/20 0.35
LIPG Q9Y5X9 2/20 0.35
ENPP2 Q13822 6/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
CA1 P00915 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL3782234 0.84 KDM4E (0.42) ENPP2KDM4EALDH1A1
SCHEMBL2562393 0.80 MGLL (0.47)
SCHEMBL133330 0.77 ENPP2 (0.50) CA2LPLLIPGENPP2CA4
SCHEMBL2866234 0.76 ALDH1A1 (0.36) KDM4EALDH1A1
SCHEMBL29954365 0.75 CYP11B1 (0.34)
SCHEMBL1866647 0.75 CYP11B1 (0.34)
SCHEMBL184212 0.74 CA2 (0.52) CA2LPLLIPGENPP2CA4
SCHEMBL3784651 0.73 LPL (0.37) CA2LPLLIPGCA1
SCHEMBL5520697 0.72 CA2 (0.50) CA2LPLLIPGENPP2CA4
SCHEMBL806837 0.69 ENPP2 (0.47) CA2LPLLIPGENPP2CA4

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 CA2 1992/4885LPL 3816/4885LIPG 3010/4885

“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.