SCHEMBL1714690

SCHEMBL1714690

Cc1cccc(C)c1CS(N)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.46
CA2 P00918 9/20 0.46
CA9 Q16790 7/20 0.46
CA5A P35218 3/20 0.46
CA4 P22748 3/20 0.40
CA7 P43166 3/20 0.40
CA12 O43570 3/20 0.37
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
LMNA P02545 1/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
MAOB P27338 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
NR3C1 P04150 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
TRPA1 O75762 2/20 0.34

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
SCHEMBL4007056 0.79 ALDH1A1 (0.40) CA1CA2CA9CA7KEAP1
SCHEMBL1501035 0.77 KEAP1 (0.35) CA1CA2CA9CA4CA7
SCHEMBL4004862 0.77 ALDH1A1 (0.39) CA1CA2CA9CA7KEAP1
SCHEMBL30297591 0.76 CA2 (0.50) CA1CA2CA9CA5ACA4
SCHEMBL4789537 0.76 CA2 (0.50) CA1CA2CA9CA5ACA4
SCHEMBL4004865 0.76 TSHR (0.39) CA1CA2CA9CA4CA7
Hydrochloric Acid SCHEMBL7559869 0.74 CA2 (0.48) CA1CA2CA9CA5ACA4
SCHEMBL6380044 0.73 TAAR1 (0.46) CA1CA2CA9CA5ALMNA
SCHEMBL3601572 0.73 CA1 (0.46) CA1CA2CA9CA5ACA4
SCHEMBL8188323 0.73 CA2 (0.46) CA1CA2CA9CA5ACA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034960-B2 Process for the synthesis C-2, C-3 substituted N-alkylated indoles useful as cPLA2 inhibitors PFIZER INC. (US) 2011-10-11 US disclosed
EP-1778629-B1 PROCESS FOR THE SYNTHESIS C-2, C-3 SUBSTITUTED N-ALKYLATED INDOLES USEFUL AS CPLA2 INHIBITORS WYETH LLC (US) 2011-07-20 EP disclosed
US-20110054189-A1 Process For The Synthesis C-2, C-3 Substituted N-Alkylated Indoles Useful As CPLA2 Inhibitors WYETH LLC 2011-03-03 US disclosed
US-7842837-B2 Process for the synthesis of C-2, C-3 substituted N-alkylated indoles useful as cPLA2 inhibitors WYETH LLC (US) 2010-11-30 US disclosed
US-20090306428-A1 Process for the Synthesis of C-2, C-3 Substituted N-Alkylated Indoles Useful as cPLA2 Inhibitors WYETH LLC 2009-12-10 US disclosed
US-7582772-B2 Process for the synthesis C-2, C-3 substituted N-alkylated indoles useful as CPLA2 inhibitors WYETH (US) 2009-09-01 US disclosed
US-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
EP-1778629-A1 PROCESS FOR THE SYNTHESIS C-2, C-3 SUBSTITUTED N-ALKYLATED INDOLES USEFUL AS CPLA2 INHIBITORS Wyeth (US) 2007-05-02 EP disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP disclosed
WO-2006023611-A1 PROCESS FOR THE SYNTHESIS C-2, C-3 SUBSTITUTED N-ALKYLATED INDOLES USEFUL AS CPLA2 INHIBITORS WYETH (US) 2006-03-02 WO disclosed
US-20060041005-A1 Process for the synthesis C-2, C-3 substituted N-alkylated indoles useful as CPLA2 inhibitors WYETH (US) 2006-02-23 US 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 (4 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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 CA1 2639/4885CA2 1381/4885CA9 1834/4885
US-20060041005-A1 Process for the synthesis C-2, C-3 substituted N-alkylated indoles useful as CPLA2 inhibitors PLA2G4A, PLA2R1, PLA2G12A CA1 2005/4885CA2 445/4885CA9 2392/4885
US-20110054189-A1 Process For The Synthesis C-2, C-3 Substituted N-Alkylated Indoles Useful As CPLA2 Inhibitors PLA2G4A, PLA2G4B, PLA2G1B CA1 2298/4885CA2 325/4885CA9 2227/4885
US-20090306428-A1 Process for the Synthesis of C-2, C-3 Substituted N-Alkylated Indoles Useful as cPLA2 Inhibitors PLA2G4A, PLA2G12A, PLA2R1 CA1 2210/4885CA2 416/4885CA9 2561/4885

“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.