SCHEMBL2033084

SCHEMBL2033084

CCOC(=O)CCc1scc(-c2ccc(Cl)cc2OC)c1-c1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
BRD4 O60885 1/20 0.37
KIF11 P52732 1/20 0.37
CYP17A1 P05093 3/20 0.37
SCN9A Q15858 2/20 0.37
NR3C1 P04150 4/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
GHSR Q92847 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2029886 0.89 CPT1A (0.41) POLBTP53BRD4KIF11CYP17A1
SCHEMBL2032980 0.86 POLB (0.40) POLBTP53MAPTLMNAHPGD
SCHEMBL2030006 0.81 CYP17A1 (0.42) BRD4CYP17A1SCN9ANR3C1PGR
SCHEMBL2032838 0.76 POLB (0.39) POLBTP53MAPTLMNAHPGD
SCHEMBL2032612 0.76 CPT1A (0.41) POLBTP53MAPTBRD4KIF11
SCHEMBL2028943 0.76 CPT1A (0.41) POLBTP53MAPTBRD4KIF11
SCHEMBL2038598 0.75 DNMT3A (0.40) TP53MAPTMEN1KMT2A
SCHEMBL2035207 0.73 CTSA (0.43) POLBTP53MAPTHTTNPSR1
SCHEMBL12642393 0.70 ALDH1A1 (0.41) POLBMAPTLMNAHTTNPSR1
SCHEMBL15385235 0.70 CYP17A1 (0.42) BRD4CYP17A1SCN9ANR3C1PGR

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 POLB 2148/4885TP53 3149/4885MAPT 3239/4885
US-20120245210-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR POLB 2148/4885TP53 3149/4885MAPT 3239/4885

“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.