Sugi Predict

Sugi Predict / Compounds / SCHEMBL2032377

SCHEMBL2032377

SCHEMBL2032377

COc1ccc(-c2scc(CCC(=O)O)c2-c2ccc(C#N)cc2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 5/20 0.42
▸ FFAR4 Q5NUL3 2/20 0.42
▸ MMP2 P08253 1/20 0.41
▸ S1PR1 P21453 4/20 0.41
▸ PPARD Q03181 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ S1PR5 Q9H228 2/20 0.39
▸ HRH2 P25021 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ EIF4E P06730 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37

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
SCHEMBL2035632 0.83 PPARD (0.40) FFAR1FFAR4PPARDPOLBGAA
SCHEMBL2032086 0.74 HRH2 (0.44) POLBHRH2HRH1THRBCYP1A1
SCHEMBL19209453 0.73 FFAR1 (0.45) FFAR1FFAR4POLBEGFRPDGFRB
SCHEMBL19209490 0.73 FFAR1 (0.47) FFAR1FFAR4POLB
SCHEMBL2034931 0.72 MAPK14 (0.38) HRH2HRH1ATMEIF4ETHRB
SCHEMBL2034932 0.72 MAPK14 (0.38) HRH2HRH1ATMEIF4ETHRB
SCHEMBL7229011 0.71 HRH2 (0.47) HRH2HRH1THRBCYP1A1CYP1B1
SCHEMBL2034990 0.70 CYP1A1 (0.41) HRH2HRH1EIF4ETHRBCYP1A1
SCHEMBL2032724 0.70 USP14 (0.39) FFAR1FFAR4S1PR1HRH2HRH1
SCHEMBL1829684 0.69 HRH2 (0.45) FFAR1MMP2HRH2HRH1

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 FFAR1 1030/4885FFAR4 2022/4885MMP2 3339/4885
US-20120245210-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR FFAR1 1030/4885FFAR4 2022/4885MMP2 3339/4885

“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.