SCHEMBL1329930

SCHEMBL1329930

COC(=O)c1ccc(-c2ccc(-c3cccc(N)c3)c(C#N)c2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.46
ESRRG P62508 3/20 0.44
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
HSD17B1 P14061 3/20 0.41
HSD17B2 P37059 3/20 0.41
PRF1 P14222 1/20 0.40
MELK Q14680 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
XDH P47989 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38

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
SCHEMBL1331274 0.89 MEN1 (0.51) HPGDSESRRGESR1ESR2HSD17B1
SCHEMBL3918681 0.85 HPGDS (0.59) HPGDSESRRGESR1ESR2HSD17B1
SCHEMBL4331169 0.78 HSD17B1 (0.59) HPGDSESRRGHSD17B1HSD17B2KMT2A
SCHEMBL4346205 0.77 HSD17B1 (0.55) HSD17B1HSD17B2MAPTALDH1A1GAA
SCHEMBL1331657 0.77 MEN1 (0.59) HPGDSHSD17B1HSD17B2MEN1KMT2A
SCHEMBL7259715 0.75 APP (0.53) HSD17B1HSD17B2MEN1KMT2AMAPT
SCHEMBL4333504 0.74 NPSR1 (0.44) HSD17B1HSD17B2MEN1KMT2AMAPT
SCHEMBL29021693 0.74 HDAC1 (0.61) HPGDSESRRGHSD17B1HSD17B2MEN1
SCHEMBL6477476 0.73 KDM4E (0.58) HPGDSESRRGHSD17B1HSD17B2MEN1
SCHEMBL1331621 0.73 HSD17B1 (0.47) HPGDSHSD17B1HSD17B2MEN1KMT2A

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 10 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
EP-1932832-B1 TRIARYLCARBOXYLIC ACID DERIVATIVE ASTELLAS PHARMA INC (JP) 2010-12-01 EP 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 HPGDS 49/4885ESRRG 4350/4885ESR1 4206/4885
US-20090018104-A1 Triarylcarboxylic Acid Derivative XDH, NLRP3, UACA HPGDS 1430/4885ESRRG 4481/4885ESR1 4482/4885
US-20110281919-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN HPGDS 49/4885ESRRG 4350/4885ESR1 4206/4885

“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.