SCHEMBL2035404

SCHEMBL2035404

Cc1cc(NS(C)(=O)=O)ccc1-c1c(Br)csc1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 6/20 0.43
KAT2B Q92831 1/20 0.37
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
AURKA O14965 1/20 0.35
KDR P35968 1/20 0.35
AURKB Q96GD4 1/20 0.35
BRD4 O60885 2/20 0.35
TNIK Q9UKE5 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
TP53 P04637 1/20 0.34
PDPK1 O15530 1/20 0.33
HAVCR2 Q8TDQ0 1/20 0.33

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
SCHEMBL2037314 0.78 CYP17A1 (0.45) CYP17A1BRD4
SCHEMBL2053190 0.74 PSEN1 (0.43) CYP17A1HPGDTNIKALDH1A1
SCHEMBL2035965 0.73 PDE4A (0.36)
Lithium SCHEMBL31041157 0.73 CYP17A1 (0.63) CYP17A1KAT2BHPGDHTTAURKA
SCHEMBL2051194 0.73 CYP17A1 (0.36) CYP17A1KAT2BALDH1A1
SCHEMBL2034092 0.71 LMNA (0.52) CYP17A1KAT2BHPGDHTTTNIK
SCHEMBL8484986 0.69 KAT2B (0.48) CYP17A1KAT2BHPGDHTTAURKA
SCHEMBL26635191 0.69 ALDH1A1 (0.47) KAT2BHPGDHTTAURKAKDR
SCHEMBL1370637 0.68 CA12 (0.48) CYP17A1KAT2BHPGDHTTTNIK
SCHEMBL4661111 0.66 CYP17A1 (0.56) CYP17A1KAT2BHPGDAURKAKDR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859611-B2 Thiophene inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
EP-2512247-B1 NOVEL THIOPHENE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS INC (US) 2014-06-04 EP disclosed
US-20140057957-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, INC. (US) 2014-02-27 US disclosed
US-8586624-B2 Thiophene inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2013-11-19 US disclosed
EP-2512247-A1 NOVEL THIOPHENE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 Pharmaceuticals, LLC (US) 2012-10-24 EP disclosed
US-20120245210-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2012-09-27 US disclosed
WO-2011075478-A1 NOVEL THIOPHENE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS, LLC (US) 2011-06-23 WO 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 (2 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-20140057957-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR CYP17A1 296/4885KAT2B 2670/4885HPGD 162/4885
US-20120245210-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR CYP17A1 296/4885KAT2B 2670/4885HPGD 162/4885

“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.