SCHEMBL4482301

SCHEMBL4482301

CC(C)COc1ccc(-c2ccc(-c3nnn[nH]3)s2)cc1C#N

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XDH P47989 9/20 0.48
ABCC4 O15439 1/20 0.48
ABCB11 O95342 1/20 0.48
PGR P06401 1/20 0.48
CHRM1 P11229 1/20 0.48
PDE4A P27815 1/20 0.48
BLVRB P30043 1/20 0.48
TARBP2 Q15633 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
SLC22A12 Q96S37 1/20 0.46

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
SCHEMBL4338008 0.81 XDH (0.49) XDH
SCHEMBL31421752 0.77 XDH (0.55) XDHABCC4ABCB11PGRCHRM1
SCHEMBL31573 0.76 XDH (0.69) XDHABCC4ABCB11PGRCHRM1
SCHEMBL4340831 0.75 XDH (0.62) XDHABCC4ABCB11PGRCHRM1
SCHEMBL4335034 0.73 XDH (0.54) XDHABCC4ABCB11PGRCHRM1
SCHEMBL12133604 0.70 XDH (0.73) XDHABCC4ABCB11PGRCHRM1
SCHEMBL28324542 0.69 XDH (0.59) XDHSLC22A12
SCHEMBL22113143 0.69 XDH (0.68) XDHABCC4ABCB11PGRCHRM1
SCHEMBL28280399 0.68 XDH (0.74) XDHABCC4ABCB11PGRCHRM1
SCHEMBL5827419 0.68 S1PR1 (0.57) XDHABCG2

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 1/4885ABCC4 271/4885ABCB11 2120/4885

“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.