SCHEMBL4337879

SCHEMBL4337879

CCOc1cc(Br)sc1C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
MAPT P10636 4/20 0.44
TSHR P16473 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
F2 P00734 1/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL31435566 0.84 KMT2A (0.56) KMT2AMAPTTSHRHSD17B10LMNA
SCHEMBL1371646 0.83 KMT2A (0.42) KMT2AMAPTTSHRHSD17B10L3MBTL1
SCHEMBL20505625 0.78 KMT2A (0.51) KMT2AMAPTTSHRHSD17B10TDP1
SCHEMBL1969132 0.78 KMT2A (0.51) KMT2AMAPTTSHRTDP1LMNA
SCHEMBL29122566 0.78 HSD17B10 (0.42) KMT2AMAPTTSHRHSD17B10LMNA
SCHEMBL31223040 0.76 NOTUM (0.39) KMT2AMAPTTSHRHSD17B10NCOA1
SCHEMBL319034 0.75 GSK3B (0.53) KMT2AMAPTTSHRHSD17B10LMNA
SCHEMBL9826618 0.75 MAPT (0.60) KMT2AMAPTHSD17B10LMNAHTT
SCHEMBL613592 0.74 KDM4E (0.40) KMT2AMAPTTSHRHSD17B10LMNA
SCHEMBL1971697 0.74 MAPT (0.44) KMT2AMAPTTSHRHSD17B10LMNA

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 KMT2A 3232/4885MAPT 1064/4885TSHR 2877/4885

“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.