SCHEMBL13627100

SCHEMBL13627100

N#Cc1cc(-c2ccc(C(=O)O)s2)ccc1OC(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.48
HSD17B2 P37059 2/20 0.48
HDAC6 Q9UBN7 4/20 0.46
HDAC1 Q13547 3/20 0.46
POLB P06746 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGDS O60760 1/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
XDH P47989 2/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 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
SCHEMBL16312966 0.84 S1PR1 (0.50) HSD17B1HSD17B2HDAC6HDAC1POLB
SCHEMBL4344746 0.80 ALDH1A1 (0.52) HSD17B1HSD17B2ALDH1A1HPGDS1PR1
SCHEMBL13626788 0.80 XDH (0.44) HSD17B1HSD17B2HDAC6POLBRAB9A
SCHEMBL14531613 0.79 S1PR1 (0.49) HSD17B1HSD17B2POLBRAB9AMEN1
SCHEMBL4340831 0.79 XDH (0.62) HDAC6XDH
SCHEMBL14530829 0.78 XDH (0.55) HSD17B1HSD17B2HDAC6S1PR1S1PR5
SCHEMBL16312939 0.77 XDH (0.45) HSD17B1HSD17B2HDAC6ALDH1A1HPGD
SCHEMBL1330079 0.76 HSD17B1 (0.45) HSD17B1HSD17B2HDAC6HDAC1ERCC5
SCHEMBL13627237 0.76 ALDH1A1 (0.46) HSD17B1HSD17B2HDAC6ALDH1A1HPGD
SCHEMBL1919107 0.76 ALDH1A1 (0.55) RAB9AALDH1A1HPGDXDH

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 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.