SCHEMBL13626788

SCHEMBL13626788

N#Cc1cc(-c2ccc(C(=O)O)s2)ccc1OCC(Cl)(Cl)Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 9/20 0.44
HSD17B1 P14061 2/20 0.43
HSD17B2 P37059 2/20 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
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
NR4A2 P43354 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42

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 0.88 S1PR1 (0.50) XDHHSD17B1HSD17B2ABCC4ABCB11
SCHEMBL4344746 0.84 ALDH1A1 (0.52) XDHHSD17B1HSD17B2ALDH1A1
SCHEMBL4340831 0.83 XDH (0.62) XDHABCC4ABCB11PGRCHRM1
SCHEMBL16312939 0.81 XDH (0.45) XDHHSD17B1HSD17B2ABCC4ABCB11
SCHEMBL13627237 0.80 ALDH1A1 (0.46) XDHHSD17B1HSD17B2ABCC4ABCB11
SCHEMBL13627100 0.80 HSD17B1 (0.48) XDHHSD17B1HSD17B2HDAC6KDM4E
SCHEMBL14530861 0.78 NR4A2 (0.52) XDHNR4A2
SCHEMBL14530829 0.77 XDH (0.55) XDHHSD17B1HSD17B2ABCC4ABCB11
SCHEMBL14531203 0.77 MRGPRX4 (0.45) XDHHSD17B1HSD17B2ABCC4ABCB11
SCHEMBL14531613 0.76 S1PR1 (0.49) XDHHSD17B1HSD17B2PDE4AKDM4E

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 XDH 1/4885HSD17B1 1201/4885HSD17B2 1680/4885

“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.