SCHEMBL789375

SCHEMBL789375

CCCCNC(=O)Nc1cccc(B(O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.61
ALDH1A1 P00352 2/20 0.57
HTT P42858 1/20 0.57
MAPT P10636 2/20 0.56
EPHX2 P34913 6/20 0.55
PKM P14618 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CDK8 P49336 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL6333817 0.85 NLRP3 (0.52) EPHX1MAPTCDK8SMN1; SMN2
SCHEMBL21788373 0.85 EPHX2 (0.52) EPHX1ALDH1A1EPHX2GAAHPGD
SCHEMBL1490960 0.82 EPHX1 (0.59) EPHX1ALDH1A1HTTMAPTEPHX2
SCHEMBL21788391 0.82 EPHX2 (0.57) EPHX1ALDH1A1HTTEPHX2HPGD
SCHEMBL10192072 0.81 MEN1 (0.69) EPHX1ALDH1A1HTTMAPTEPHX2
SCHEMBL6064818 0.81 EPHX1 (0.66) EPHX1ALDH1A1HTTMAPTEPHX2
SCHEMBL6438910 0.81 EPHX1 (0.83) EPHX1ALDH1A1HTTMAPTEPHX2
SCHEMBL27406518 0.80 EPHX1 (0.64) EPHX1ALDH1A1HTTMAPTEPHX2
SCHEMBL4602668 0.79 LPL (0.53) ALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL23169416 0.79 LMNA (0.58) ALDH1A1EPHX2SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616071-A2 FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-24 EP disclosed
US-20130172384-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2013-07-04 US disclosed
WO-2012037299-A2 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO 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-20130172384-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 EPHX1 1348/4885ALDH1A1 671/4885HTT 4079/4885

“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.