SCHEMBL2037227

SCHEMBL2037227

COc1ccc(-c2cscc2Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.56
▸ PTGS1 P23219 1/20 0.56
▸ APP P05067 1/20 0.44
▸ ABL1 P00519 1/20 0.43
▸ ABCB1 P08183 1/20 0.43
▸ BCR P11274 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ BACE1 P56817 3/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL6050667 0.86 PTGS2 (0.70) PTGS2PTGS1APPABL1ABCB1
SCHEMBL7384343 0.78 PTGS2 (0.52) PTGS2PTGS1ESR2MAPTKMT2A
SCHEMBL17707845 0.77 PTGS2 (0.56) PTGS2PTGS1APPABL1ABCB1
SCHEMBL6050655 0.74 PTGS2 (0.57) PTGS2PTGS1APPABL1ABCB1
SCHEMBL6050880 0.74 PTGS2 (0.74) PTGS2PTGS1CA12CA1CA2
SCHEMBL2037998 0.74 ESR1 (0.71) APPABL1ABCB1BCRCA12
SCHEMBL6050649 0.73 PTGS2 (0.56) PTGS2PTGS1ESR2ALDH1A1
SCHEMBL7445927 0.72 ABL1 (0.60) ABL1ABCB1BCRCA12CA1
SCHEMBL7777307 0.72 ABL1 (0.50) PTGS2APPABL1ABCB1BCR
SCHEMBL30545203 0.72 ABL1 (0.60) ABL1ABCB1BCRCA12CA1

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 PTGS2 245/4885PTGS1 214/4885APP 4176/4885
US-20120245210-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR PTGS2 245/4885PTGS1 214/4885APP 4176/4885

“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.

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