SCHEMBL4452209

SCHEMBL4452209

COC(=O)c1cnc(-c2ccc(O)c(C#N)c2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.48
HSD17B1 P14061 2/20 0.43
HSD17B2 P37059 2/20 0.43
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
F11 P03951 1/20 0.40
HSD17B13 Q7Z5P4 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SNCA P37840 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38
USP7 Q93009 2/20 0.37
ABCC4 O15439 1/20 0.37
ABCB11 O95342 1/20 0.37
PGR P06401 1/20 0.37
CHRM1 P11229 1/20 0.37
PDE4A P27815 1/20 0.37

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
SCHEMBL1329855 0.80 XDH (0.59) XDH
SCHEMBL14037565 0.79 S1PR1 (0.40) XDHS1PR1S1PR5ABCC4ABCB11
SCHEMBL4331169 0.79 HSD17B1 (0.59) XDHHSD17B1HSD17B2F11NPC1
SCHEMBL12126114 0.78 CDC7 (0.44) HSD17B1HSD17B2CDC7DBF4NPC1
SCHEMBL4349126 0.76 OPRD1 (0.42) XDHHSD17B1HSD17B2F11NPC1
SCHEMBL28443491 0.76 HSD17B1 (0.56) HSD17B1HSD17B2CDC7DBF4NPC1
SCHEMBL4448051 0.75 XDH (0.44) XDHCDC7DBF4F11SMN1; SMN2
SCHEMBL13004637 0.74 XDH (0.54) XDHSMN1; SMN2S1PR1S1PR5ABCC4
SCHEMBL13139788 0.74 XDH (0.52) XDHHSD17B1HSD17B2F11HSD17B13
SCHEMBL1329761 0.74 KDM4E (0.53) XDHF11

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 6 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-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
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 (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-20110281919-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN XDH 1/4885HSD17B1 1628/4885HSD17B2 2146/4885

“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.