SCHEMBL3787933

SCHEMBL3787933

COC(=O)c1ccc(B(O)ON)cc1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
GAA P10253 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 4/20 0.44
GLA P06280 3/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
ABL1 P00519 1/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
CA12 O43570 2/20 0.42
CA7 P43166 2/20 0.42
CA14 Q9ULX7 2/20 0.42
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
CFTR P13569 2/20 0.40

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
SCHEMBL3783533 0.83 TSHR (0.50) KDM4EGAAALDH1A1HSD17B10MAPT
SCHEMBL9110483 0.82 CA1 (0.47) KDM4EGAAALDH1A1HSD17B10GLA
SCHEMBL16095509 0.77 TDP1 (0.57) KDM4EGAAALDH1A1HSD17B10GLA
SCHEMBL3785144 0.75 HTR2A (0.33)
SCHEMBL3790246 0.75 ALDH1A1 (0.54) ALDH1A1MAPTCA1CA2CA9
SCHEMBL3784783 0.74 KDM4E (0.57) KDM4EGAAALDH1A1HSD17B10GLA
SCHEMBL3787027 0.74 CA12 (0.47) KDM4EGAAALDH1A1HSD17B10GLA
SCHEMBL26497431 0.73 KDM4E (0.44) KDM4EGAAALDH1A1HSD17B10GLA
SCHEMBL3792871 0.72 HSD17B10 (0.50) KDM4EGAAALDH1A1HSD17B10MAPT
SCHEMBL1206018 0.72 CYP46A1 (0.57) KDM4EGAAALDH1A1HSD17B10GLA

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 KDM4E 2606/4885GAA 1755/4885ALDH1A1 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.