SCHEMBL3783526

SCHEMBL3783526

CCOC(=O)Nc1ccc(B(O)O)cc1NC(=O)OCC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.58
HPGD P15428 3/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NLRP3 Q96P20 1/20 0.44
MAOB P27338 1/20 0.44
KCNQ4 P56696 2/20 0.44
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.42
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
KCNQ5 Q9NR82 1/20 0.41

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
SCHEMBL3787924 0.83 HPGD (0.62) CYP1A2CYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL3790237 0.80 NPC1 (0.56) SMN1; SMN2ALDH1A1MAOBLMNAMAPT
SCHEMBL3784903 0.79 RAB9A (0.58) CYP1A2CYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL3784938 0.78 HPGD (0.44) CYP1A2CYP2C9CYP2C19HPGDKCNQ4
SCHEMBL3787132 0.78 CYP1A2 (0.73) CYP1A2CYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL3789898 0.77 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL3786631 0.77 MAPK1 (0.62) CYP1A2CYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL3790236 0.76 MAPT (0.47) HPGDALDH1A1MEN1KMT2AHSD17B10
SCHEMBL28401182 0.76 ALDH1A1 (0.72) CYP1A2CYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL3784763 0.76 KDM4E (0.57) CYP1A2CYP2C9CYP2C19SMN1; SMN2HPGD

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 CYP1A2 170/4885CYP2C9 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.