SCHEMBL3789898

SCHEMBL3789898

CCOC(=O)Nc1ccc(NC(=O)OCC)c(B(O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.58
CYP2C9 P11712 4/20 0.58
CYP2C19 P33261 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.56
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
CYP2D6 P10635 2/20 0.52
CYP3A4 P08684 1/20 0.52
HTT P42858 1/20 0.52
HSD17B10 Q99714 5/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.51
MAPK1 P28482 2/20 0.51
POLB P06746 1/20 0.51
NLRP3 Q96P20 1/20 0.50
ALDH1A1 P00352 5/20 0.49
HPGD P15428 4/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
KDM4E B2RXH2 2/20 0.48

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
SCHEMBL3788248 0.88 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19SMN1; SMN2RAB9A
SCHEMBL3784777 0.84 HPGD (0.51) SMN1; SMN2CYP3A4HTTLMNAMAPT
SCHEMBL3782019 0.82 MGLL (0.58) SMN1; SMN2RAB9ANPC1MAPTPOLB
SCHEMBL3787254 0.80 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19SMN1; SMN2RAB9A
SCHEMBL473082 0.80 NLRP3 (0.66) CYP1A2CYP2C9CYP2C19SMN1; SMN2RAB9A
SCHEMBL3789131 0.80 ALDH1A1 (0.60) CYP1A2CYP2C9CYP2C19SMN1; SMN2RAB9A
SCHEMBL3781384 0.79 CA12 (0.47) ALDH1A1GAA
SCHEMBL7565510 0.78 RAB9A (0.71) CYP1A2CYP2C9CYP2C19SMN1; SMN2RAB9A
SCHEMBL3784903 0.78 RAB9A (0.58) CYP1A2CYP2C9CYP2C19SMN1; SMN2RAB9A
SCHEMBL3783526 0.77 CYP1A2 (0.69) CYP1A2CYP2C9CYP2C19SMN1; SMN2HSD17B10

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.