SCHEMBL2014380

SCHEMBL2014380

COCCC(C(=O)O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.50
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
CYP2C19 P33261 1/20 0.42
MMP12 P39900 1/20 0.42
ACP3 P15309 2/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
FFAR1 O14842 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL2016201 0.90 HPGD (0.49) ALDH1A1CYP2C19HPGDSMN1; SMN2
SCHEMBL27694614 0.87 PTGS2 (0.53) PTGS2ALDH1A1CYP3A4CTSSCTSK
SCHEMBL3360528 0.82 POLB (0.51) CYP3A4GAACYP2C9CYP2C19PPARG
SCHEMBL30387929 0.82 L3MBTL1 (0.41) PTGS2ALDH1A1GAAFFAR1HPGD
SCHEMBL25225149 0.82 L3MBTL1 (0.41) PTGS2ALDH1A1GAAFFAR1HPGD
SCHEMBL7345071 0.80 PTGS2 (0.52) PTGS2CTSSCTSKGAACYP2C19
SCHEMBL7565922 0.79 PTGS2 (0.51) PTGS2CTSSCTSKGAAPPARG
SCHEMBL28710491 0.78 MMP9 (0.51) PTGS2CYP1A2GAACYP2C19MMP12
SCHEMBL877720 0.78 PTGS2 (0.50) PTGS2CTSSCTSKGAACYP2C19
Xenbucin SCHEMBL24134 0.78 PTGS2 (0.58) PTGS2CTSSCTSKSMN1; 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
US-9221773-B2 Benzamide derivatives THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2015-12-29 US disclosed
US-20130045982-A1 BENZAMIDE DERIVATIVES THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2013-02-21 US disclosed
WO-2011079036-A1 BENZAMIDE DERIVATIVES THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2011-06-30 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-20130045982-A1 BENZAMIDE DERIVATIVES BAD, BAK1, BRDT PTGS2 1787/4885ALDH1A1 389/4885CYP3A4 2442/4885

“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.