SCHEMBL5369877

SCHEMBL5369877

NC(=O)c1ccc(O)cc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.67
CA12 O43570 4/20 0.64
CA1 P00915 4/20 0.64
CA2 P00918 4/20 0.64
CA7 P43166 4/20 0.64
CA9 Q16790 4/20 0.64
CA14 Q9ULX7 4/20 0.64
ALDH1A1 P00352 3/20 0.64
TSHR P16473 2/20 0.64
GFER P55789 1/20 0.61
HSP90AB1 P08238 1/20 0.55
PDK2 Q15119 1/20 0.55
PDK4 Q16654 1/20 0.55
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SERPINE1 P05121 1/20 0.53

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
SCHEMBL1329143 1.00 CES2 (0.67) CES2CA12CA1CA2CA7
Pyridine SCHEMBL11592894 0.85 MKNK1 (0.56) CES2CA12CA1CA2CA7
SCHEMBL1805264 0.83 CES2 (0.50) CES2CA12CA1CA2CA7
SCHEMBL10781901 0.81 CA12 (0.64) CES2CA12CA1CA2CA7
SCHEMBL1163541 0.81 CA12 (0.64) CES2CA12CA1CA2CA7
SCHEMBL29357695 0.80 CES2 (0.73) CES2CA12CA1CA2CA7
SCHEMBL39507 0.80 CES2 (0.73) CES2CA12CA1CA2CA7
SCHEMBL2156558 0.80 CES2 (1.00) CES2CA12CA1CA2CA7
SCHEMBL926368 0.79 LCK (0.55) CES2CA12CA1CA2CA7
SCHEMBL1526264 0.79 MAPT (0.69) CES2CA1CA2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294718-B2 Synthesis of a 4-methylthiazole-4(S)-carboxylic acid compound GENZYME CORPORATION (US) 2007-11-13 US claimed
US-20050209462-A1 Synthesis of benzimidate from benzoic acid GENZYME CORPORATION (US) 2005-09-22 US claimed
EP-1506162-A2 SYNTHESIS OF BENZONITRILES AND BENZIMIDATES Genzyme Corporation (US) 2005-02-16 EP claimed
US-6846958-B2 Synthesis of benzimidate from benzoic acid GENZYME CORPORATION (US) 2005-01-25 US claimed
US-20030236426-A1 Synthesis of benzimidate from benzoic acid GENZYME CORPORATION 2003-12-25 US claimed
WO-2003097582-A2 SYNTHESIS OF BENZONITRILES AND BENZIMIDATES GENZYME CORPORATION (US) 2003-11-27 WO claimed
US-7294718-B2 Synthesis of a 4-methylthiazole-4(S)-carboxylic acid compound GENZYME CORPORATION (US) 2007-11-13 US disclosed
US-7285670-B2 Synthesis of substituted thiazoline carboxylic acids GENZYME CORPORATION (US) 2007-10-23 US disclosed
US-20060217561-A1 Synthesis of substituted thiazoline carboxylic acids CHORGHADE MUKUND S 2006-09-28 US disclosed
US-6982335-B2 Synthesis of substituted thiazoline carboxylic acids GENZYME CORPORATION (US) 2006-01-03 US disclosed
US-20050209462-A1 Synthesis of benzimidate from benzoic acid GENZYME CORPORATION (US) 2005-09-22 US disclosed
EP-1529037-A2 SYNTHESIS OF 2-ALKYLCYSTEINES, 2-(HYDROXYLATED PHENYL)-4-ALKYLTHIAZOLINE-4-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF Genzyme Corporation (US) 2005-05-11 EP disclosed
EP-1506162-A2 SYNTHESIS OF BENZONITRILES AND BENZIMIDATES Genzyme Corporation (US) 2005-02-16 EP disclosed
US-6846958-B2 Synthesis of benzimidate from benzoic acid GENZYME CORPORATION (US) 2005-01-25 US disclosed
US-20040082796-A1 Synthesis of substituted thiazoline carboxylic acids GENZYME CORPORATION 2004-04-29 US disclosed
US-20030236426-A1 Synthesis of benzimidate from benzoic acid GENZYME CORPORATION 2003-12-25 US disclosed
WO-2003097582-A2 SYNTHESIS OF BENZONITRILES AND BENZIMIDATES GENZYME CORPORATION (US) 2003-11-27 WO disclosed
WO-2003097622-A2 SYNTHESIS OF 2-ALKYLCYSTEINES, 2-(HYDROXYLATED PHENYL)-4-ALKYLTHIAZOLINE-4-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF GENZYME CORPORATION (US) 2003-11-27 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 (4 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-20060217561-A1 Synthesis of substituted thiazoline carboxylic acids CPN1, NACA, TMT1A CES2 9/4885CA12 613/4885CA1 188/4885
US-20050209462-A1 Synthesis of benzimidate from benzoic acid FTH1, CISD2, CISD1 CES2 2309/4885CA12 990/4885CA1 1391/4885
US-20030236426-A1 Synthesis of benzimidate from benzoic acid FTH1, CISD2, CISD1 CES2 2309/4885CA12 990/4885CA1 1391/4885
US-20040082796-A1 Synthesis of substituted thiazoline carboxylic acids CPN1, NAT1, ME1 CES2 13/4885CA12 886/4885CA1 179/4885

“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.