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SCHEMBL2028943

SCHEMBL2028943

COc1cc(Cl)ccc1-c1csc(C=CC(=O)O)c1-c1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CPT1A P50416 1/20 0.41
▸ CPT1B Q92523 1/20 0.41
▸ NR3C1 P04150 2/20 0.40
▸ PGR P06401 1/20 0.39
▸ NR3C2 P08235 1/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ CYP17A1 P05093 6/20 0.38
▸ SCN9A Q15858 3/20 0.37
▸ AVPR2 P30518 1/20 0.37
▸ GPR27 Q9NS67 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ IKBKB O14920 1/20 0.37
▸ CHUK O15111 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL2032612 1.00 CPT1A (0.41) CPT1ACPT1BNR3C1PGRNR3C2
SCHEMBL15385235 0.90 CYP17A1 (0.42) CPT1ACPT1BNR3C1PGRNR3C2
SCHEMBL2031726 0.90 CYP17A1 (0.42) CPT1ACPT1BNR3C1PGRNR3C2
SCHEMBL2038393 0.86 ESR1 (0.37) CPT1ACPT1BMAPT
SCHEMBL2038396 0.86 ESR1 (0.37) CPT1ACPT1BMAPT
SCHEMBL2030733 0.85 ALDH1A1 (0.36) CPT1ACPT1BTP53MAPT
SCHEMBL2030730 0.85 ALDH1A1 (0.36) CPT1ACPT1BTP53MAPT
SCHEMBL2029886 0.81 CPT1A (0.41) CPT1ACPT1BNR3C1PGRNR3C2
SCHEMBL2037314 0.77 CYP17A1 (0.45) NR3C1PGRNR3C2BRD4CYP17A1
SCHEMBL2033084 0.76 POLB (0.43) NR3C1PGRNR3C2KIF11BRD4

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 CPT1A 580/4885CPT1B 1150/4885NR3C1 609/4885
US-20120245210-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR CPT1A 580/4885CPT1B 1150/4885NR3C1 609/4885

“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.