SCHEMBL4335939

SCHEMBL4335939

COC(=O)c1ccc(-c2cc(F)c(OCc3ccccc3)c(C#N)c2)s1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.46
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
XDH P47989 3/20 0.39
FAAH O00519 1/20 0.38
HSD17B2 P37059 4/20 0.38
HSD17B1 P14061 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
ACKR3 P25106 1/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
AR P10275 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37

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
SCHEMBL4337873 0.83 XDH (0.55) NR4A2XDH
SCHEMBL4338983 0.79 HSD17B1 (0.47) HSD17B2HSD17B1
SCHEMBL1331259 0.78 KDM5B (0.48) HPGDLMNAXDHFAAHKDM4E
SCHEMBL4338242 0.78 XDH (0.44) XDHHSD17B2HSD17B1
SCHEMBL4346205 0.76 HSD17B1 (0.55) HPGDHSD17B2HSD17B1ALDH1A1KDM4E
SCHEMBL1331833 0.74 NR4A2 (0.81) NR4A2HPGDHSD17B2ALDH1A1ACKR3
SCHEMBL13626961 0.73 KDM4E (0.44) NR4A2HPGDHSD17B2HSD17B1ALDH1A1
SCHEMBL4331169 0.70 HSD17B1 (0.59) HPGDLMNAXDHHSD17B2HSD17B1
SCHEMBL19124684 0.70 LMNA (0.74) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL12138003 0.69 NR4A2 (0.52) NR4A2HPGDLMNAFAAHHSD17B2

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 NR4A2 584/4885HPGD 1445/4885LMNA 2708/4885

“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.