SCHEMBL4451557

SCHEMBL4451557

CCCCOc1ccc(-c2ccc(C(=O)OC)s2)cc1C#N

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
XDH P47989 1/20 0.48
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43

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
SCHEMBL4346241 0.94 S1PR1 (0.46) ALDH1A1HPGDXDHHSD17B1HSD17B2
SCHEMBL4344746 0.85 ALDH1A1 (0.52) ALDH1A1HPGDXDHHSD17B1HSD17B2
SCHEMBL4335034 0.85 XDH (0.54) XDHHSD17B1HSD17B2
SCHEMBL4337873 0.83 XDH (0.55) XDH
SCHEMBL4344343 0.81 S1PR1 (0.46) ALDH1A1HPGDXDHHSD17B1HSD17B2
SCHEMBL4346234 0.80 HPGD (0.39) ALDH1A1HPGDXDHHSD17B1HSD17B2
SCHEMBL13627237 0.80 ALDH1A1 (0.46) ALDH1A1HPGDXDHHSD17B1HSD17B2
SCHEMBL4331169 0.79 HSD17B1 (0.59) ALDH1A1HPGDXDHHSD17B1HSD17B2
SCHEMBL13004941 0.79 ALDH1A1 (0.46) ALDH1A1HPGDXDH
SCHEMBL16312939 0.78 XDH (0.45) ALDH1A1HPGDXDHHSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426453-B2 Treatment of a stomach or small intestine ulcer with 2-(3-cyano-4-isobutyloxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid ASTELLAS PHARMA INC. (JP) 2013-04-23 US disclosed
EP-1992361-B1 Remedy or preventive for digestive ulcer ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed
US-8067446-B2 Methods for treating an ulcer of the small intestine and stomach ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-20110281919-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER ASTELLAS PHARMA INC. (JP) 2011-11-17 US disclosed
US-7816558-B2 Triarylcarboxylic acid derivative ASTELLAS PHARMA INC. (JP) 2010-10-19 US disclosed
US-20090036428-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER ASTELLAS PHARMA INC. (JP) 2009-02-05 US disclosed
US-20090018104-A1 Triarylcarboxylic Acid Derivative ASTELLAS PHARMA INC. (JP) 2009-01-15 US disclosed
EP-1992361-A1 REMEDY OR PREVENTIVE FOR DIGESTIVE ULCER Astellas Pharma Inc. (JP) 2008-11-19 EP disclosed
EP-1932832-A1 TRIARYLCARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2008-06-18 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 (3 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-20090036428-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN ALDH1A1 959/4885HPGD 10/4885XDH 1/4885
US-20090018104-A1 Triarylcarboxylic Acid Derivative XDH, NLRP3, UACA ALDH1A1 282/4885HPGD 657/4885XDH 1/4885
US-20110281919-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN ALDH1A1 959/4885HPGD 10/4885XDH 1/4885

“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.