SCHEMBL2034142

SCHEMBL2034142

COCOc1ccc(-c2csc(CCC(=O)O)c2-c2ccc(Cl)cc2OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.46
FFAR4 Q5NUL3 5/20 0.46
CTSA P10619 4/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
TP53 P04637 3/20 0.39
MDM2 Q00987 2/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
MME P08473 1/20 0.39
MMEL1 Q495T6 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL2032838 0.89 POLB (0.39) FFAR1FFAR4CTSAPTGDR2TP53
SCHEMBL2036758 0.87 FFAR4 (0.42) FFAR1FFAR4CTSAPTGDR2TP53
SCHEMBL2036530 0.81 PTGDR2 (0.39) FFAR1FFAR4CTSAPTGDR2MAPT
SCHEMBL2036531 0.81 PTGDR2 (0.39) FFAR1FFAR4CTSAPTGDR2MAPT
SCHEMBL2037390 0.80 FYN (0.38) CTSAPTGDR2MAPT
SCHEMBL2038598 0.80 DNMT3A (0.40) FFAR1FFAR4CTSATP53MDM2
SCHEMBL2035207 0.78 CTSA (0.43) FFAR1FFAR4CTSATP53MDM2
SCHEMBL2029276 0.75 FYN (0.42) PTGDR2
SCHEMBL2029886 0.74 CPT1A (0.41) PTGDR2TP53MMEMMEL1
SCHEMBL15759922 0.73 FFAR4 (0.43) FFAR1FFAR4MAPT

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 2022/4885CTSA 3580/4885
US-20120245210-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR FFAR1 1030/4885FFAR4 2022/4885CTSA 3580/4885

“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.