SCHEMBL13627237

SCHEMBL13627237

CSCCCOc1ccc(-c2ccc(C(=O)O)s2)cc1C#N

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
XDH P47989 8/20 0.44
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
ABCC4 O15439 1/20 0.42
ABCB11 O95342 1/20 0.42
PGR P06401 1/20 0.42
CHRM1 P11229 1/20 0.42
PDE4A P27815 1/20 0.42
BLVRB P30043 1/20 0.42
TARBP2 Q15633 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
SLC22A12 Q96S37 1/20 0.41

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
SCHEMBL4344746 0.87 ALDH1A1 (0.52) ALDH1A1HPGDXDHHSD17B1HSD17B2
SCHEMBL16312939 0.84 XDH (0.45) ALDH1A1HPGDXDHHSD17B1HSD17B2
SCHEMBL4340831 0.81 XDH (0.62) XDHABCC4ABCB11PGRCHRM1
SCHEMBL16312966 0.80 S1PR1 (0.50) ALDH1A1XDHHSD17B1HSD17B2ABCC4
SCHEMBL13626788 0.80 XDH (0.44) ALDH1A1XDHHSD17B1HSD17B2ABCC4
SCHEMBL4451557 0.80 ALDH1A1 (0.49) ALDH1A1HPGDXDHHSD17B1HSD17B2
SCHEMBL4346241 0.78 S1PR1 (0.46) ALDH1A1HPGDXDHHSD17B1HSD17B2
SCHEMBL13627100 0.76 HSD17B1 (0.48) ALDH1A1HPGDXDHHSD17B1HSD17B2
SCHEMBL4344343 0.76 S1PR1 (0.46) ALDH1A1HPGDXDHHSD17B1HSD17B2
SCHEMBL14530829 0.76 XDH (0.55) XDHHSD17B1HSD17B2ABCC4ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ALDH1A1 424/4885HPGD 1445/4885XDH 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.