SCHEMBL13612856

SCHEMBL13612856

O=C(O)c1sc(-c2cc(Br)c(N3CCCC3)c(Br)c2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
PTPN1 P18031 1/20 0.33
FFAR4 Q5NUL3 3/20 0.32
MAPT P10636 2/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
POLB P06746 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
TSHR P16473 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA4 P48058 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL14530837 0.80 GRIA2 (0.36) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL14531195 0.72 GRIA2 (0.43) ALDH1A1MAPTGRIA2GRIA4KDM4E
SCHEMBL14531110 0.71 GRIA2 (0.42) ALDH1A1MAPTPOLBTSHRGRIA2
SCHEMBL5651907 0.69 PTPN1 (0.55) ALDH1A1PTPN1MAPTPKMMEN1
SCHEMBL17201623 0.65 ADORA1 (0.39) PTPN1MAPTMEN1KMT2APOLB
SCHEMBL20894252 0.64 GSK3B (0.42) PTPN1PKM
SCHEMBL3601307 0.62 PTPN1 (0.58) PTPN1MAPTMEN1KMT2APOLB
SCHEMBL14367853 0.62 MKNK1 (0.55) ALDH1A1PTPN1GAA
SCHEMBL9832349 0.62 MAPT (0.44) ALDH1A1MAPTPKMMAPK1MEN1
SCHEMBL4517751 0.62 SMN1; SMN2 (0.40) ALDH1A1MAPTPKMMAPK1MEN1

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 5 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-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
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 ALDH1A1 424/4885PTPN1 790/4885FFAR4 468/4885

“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.