SCHEMBL13627242

SCHEMBL13627242

N#Cc1cc(-c2ccc(C(=O)O)s2)ccc1N1CCS(=O)(=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGDS O60760 1/20 0.40
HSD17B1 P14061 2/20 0.40
HSD17B2 P37059 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ERN1 O75460 1/20 0.36
CSF1R P07333 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35

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
SCHEMBL4339991 0.87 MEN1 (0.43) XDHMEN1POLBRAB9AKMT2A
SCHEMBL16312946 0.85 XDH (0.54) XDHMEN1POLBRAB9AKMT2A
SCHEMBL4333504 0.76 NPSR1 (0.44) MEN1RAB9AKMT2AHSD17B1HSD17B2
SCHEMBL4559367 0.76 ALDH1A1 (0.44) XDHMEN1POLBKMT2AHSD17B1
SCHEMBL14531201 0.74 POLB (0.41) MEN1POLBRAB9AKMT2AHPGDS
SCHEMBL14383589 0.73 XDH (0.48) XDHKDM4E
SCHEMBL1331657 0.72 MEN1 (0.59) XDHMEN1POLBRAB9AKMT2A
SCHEMBL13627100 0.69 HSD17B1 (0.48) XDHMEN1POLBRAB9AKMT2A
SCHEMBL14531195 0.69 GRIA2 (0.43) XDHHSD17B1HSD17B2KDM4EALDH1A1
SCHEMBL14531110 0.68 GRIA2 (0.42) XDHPOLBHSD17B1HSD17B2KDM4E

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 2 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

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 XDH 1/4885MEN1 4869/4885POLB 336/4885

“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.