SCHEMBL3787045

SCHEMBL3787045

Nc1cc(B(O)O)ccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.47
ENPP2 Q13822 4/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KIF11 P52732 2/20 0.38
TRPV6 Q9H1D0 2/20 0.38
ORAI1 Q96D31 1/20 0.38
ORAI2 Q96SN7 1/20 0.38
ORAI3 Q9BRQ5 1/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
CA12 O43570 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL3790569 0.84 MGLL (0.47) MGLLENPP2KDM4EALDH1A1TRPV6
SCHEMBL9133129 0.82 MGLL (0.37) MGLLENPP2KDM4EALDH1A1CA1
SCHEMBL3789433 0.81 MGLL (0.52) MGLLENPP2TRPV6ORAI1ORAI2
SCHEMBL29700447 0.81 MGLL (0.52) MGLLENPP2TRPV6ORAI1ORAI2
SCHEMBL3786498 0.80 ENPP2 (0.41) MGLLENPP2KDM4EALDH1A1CA1
SCHEMBL29956269 0.78 MGLL (0.48) MGLLENPP2KIF11TRPV6ORAI1
SCHEMBL1231962 0.78 KIF11 (0.48) MGLLKIF11TRPV6ORAI1ORAI2
SCHEMBL177526 0.76 TTR (0.50) MGLLENPP2TRPV6ORAI1ORAI2
SCHEMBL20475565 0.76 MGLL (0.47) MGLLENPP2TRPV6ORAI1ORAI2
SCHEMBL30307797 0.76 MGLL (0.47) MGLLENPP2TRPV6ORAI1ORAI2

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 MGLL 1314/4885ENPP2 1920/4885KDM4E 2606/4885

“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.