SCHEMBL4346205

SCHEMBL4346205

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 10/20 0.55
HSD17B2 P37059 10/20 0.55
HDAC6 Q9UBN7 2/20 0.44
HDAC1 Q13547 1/20 0.44
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 1/20 0.41
IKBKB O14920 1/20 0.40
CNR2 P34972 1/20 0.40
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
S1PR1 P21453 1/20 0.39

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
SCHEMBL4331169 0.86 HSD17B1 (0.59) HSD17B1HSD17B2HDAC6HDAC1KDM4E
SCHEMBL4338983 0.85 HSD17B1 (0.47) HSD17B1HSD17B2
SCHEMBL1330079 0.79 HSD17B1 (0.45) HSD17B1HSD17B2HDAC6HDAC1KDM4E
SCHEMBL4346241 0.79 S1PR1 (0.46) HSD17B1HSD17B2ALDH1A1HPGDS1PR1
SCHEMBL4333504 0.79 NPSR1 (0.44) HSD17B1HSD17B2KDM4ENPC1ALDH1A1
SCHEMBL29021693 0.78 HDAC1 (0.61) HSD17B1HSD17B2HDAC6HDAC1KDM4E
SCHEMBL4335034 0.78 XDH (0.54) HSD17B1HSD17B2HDAC6
SCHEMBL4451557 0.78 ALDH1A1 (0.49) HSD17B1HSD17B2ALDH1A1HPGD
SCHEMBL1329930 0.77 HPGDS (0.46) HSD17B1HSD17B2HDAC6HDAC1KDM4E
SCHEMBL12126111 0.77 HSD17B2 (0.41) HSD17B1HSD17B2HDAC6KDM4ENPC1

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-7612108-B2 Such as 5-(3-cyano-4-n-propoxyphenyl)thiophene-2-carboxylic acid; for diseases associated with xanthine oxidase such as hyperuricemia, gout, inflammatory bowel diseases, diabetic kidney diseases, diabetic retinopathy ASTELLAS PHARMA INC. (JP) 2009-11-03 US disclosed
EP-1992361-A1 REMEDY OR PREVENTIVE FOR DIGESTIVE ULCER Astellas Pharma Inc. (JP) 2008-11-19 EP disclosed
US-20080027048-A1 Such as 5-(3-cyano-4-n-propoxyphenyl)thiophene-2-carboxylic acid; for diseases associated with xanthine oxidase such as hyperuricemia, gout, inflammatory bowel diseases, diabetic kidney diseases, diabetic retinopathy ASTELLAS PHARMA INC. (JP) 2008-01-31 US disclosed
EP-1783124-A1 2-PHENYLTHIOPHENE DERIVATIVE Astellas Pharma Inc. (JP) 2007-05-09 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-20080027048-A1 Such as 5-(3-cyano-4-n-propoxyphenyl)thiophene-2-carboxylic acid; for diseases associated with xanthine oxidase such as hyperuricemia, gout, inflammatory bowel diseases, diabetic kidney diseases, diabetic retinopathy XDH, UACA, NUDT1 HSD17B1 1201/4885HSD17B2 1680/4885HDAC6 4154/4885

“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.