SCHEMBL1331587

SCHEMBL1331587

Cc1nc(-c2ccc(-c3ccccc3)c(C#N)c2)sc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 13/20 0.64
SMN1; SMN2 Q16637 3/20 0.63
ABCC4 O15439 1/20 0.61
ABCB11 O95342 1/20 0.61
PGR P06401 1/20 0.61
CHRM1 P11229 1/20 0.61
PDE4A P27815 1/20 0.61
BLVRB P30043 1/20 0.61
TARBP2 Q15633 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
ABCG2 Q9UNQ0 1/20 0.61
KDM4E B2RXH2 2/20 0.54
RAB9A P51151 2/20 0.54
GAA P10253 1/20 0.54
ALDH1A1 P00352 1/20 0.54
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL3379629 0.93 KDM4E (0.65) XDHSMN1; SMN2ABCC4ABCB11PGR
SCHEMBL3384040 0.91 XDH (0.60) XDHSMN1; SMN2ABCC4ABCB11PGR
SCHEMBL19523320 0.91 RAB9A (0.67) XDHSMN1; SMN2ABCC4ABCB11PGR
SCHEMBL19523322 0.91 XDH (0.63) XDHSMN1; SMN2ABCC4ABCB11PGR
SCHEMBL19523351 0.90 XDH (0.65) XDHSMN1; SMN2ABCC4ABCB11PGR
SCHEMBL1331619 0.90 XDH (0.66) XDHSMN1; SMN2ABCC4ABCB11PGR
SCHEMBL3568142 0.89 XDH (0.64) XDHSMN1; SMN2ABCC4ABCB11PGR
SCHEMBL1357282 0.89 XDH (0.60) XDHSMN1; SMN2ABCC4ABCB11PGR
SCHEMBL1357815 0.88 XDH (0.68) XDHSMN1; SMN2ABCC4ABCB11PGR
SCHEMBL19523350 0.88 XDH (0.65) XDHSMN1; SMN2ABCC4ABCB11PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1992361-B1 Remedy or preventive for digestive ulcer ASTELLAS PHARMA INC (JP) 2012-05-02 EP claimed
US-8067446-B2 Methods for treating an ulcer of the small intestine and stomach ASTELLAS PHARMA INC. (JP) 2011-11-29 US claimed
EP-1932832-B1 TRIARYLCARBOXYLIC ACID DERIVATIVE ASTELLAS PHARMA INC (JP) 2010-12-01 EP claimed
US-7816558-B2 Triarylcarboxylic acid derivative ASTELLAS PHARMA INC. (JP) 2010-10-19 US claimed
US-20090036428-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER ASTELLAS PHARMA INC. (JP) 2009-02-05 US claimed
US-20090018104-A1 Triarylcarboxylic Acid Derivative ASTELLAS PHARMA INC. (JP) 2009-01-15 US claimed
EP-1992361-A1 REMEDY OR PREVENTIVE FOR DIGESTIVE ULCER Astellas Pharma Inc. (JP) 2008-11-19 EP claimed
EP-1932832-A1 TRIARYLCARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2008-06-18 EP claimed
US-9802907-B2 2-aryl selenazole compound and pharmaceutical composition thereof JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. (CN) 2017-10-31 US disclosed
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 XDH 1/4885SMN1; SMN2 4732/4885ABCC4 598/4885
US-20090018104-A1 Triarylcarboxylic Acid Derivative XDH, NLRP3, UACA XDH 1/4885SMN1; SMN2 3060/4885ABCC4 448/4885
US-20110281919-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN XDH 1/4885SMN1; SMN2 4732/4885ABCC4 598/4885

“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.