SCHEMBL7140312

SCHEMBL7140312

COc1ccc(CSC2CC(C(=O)N(C)CC(=O)Nc3ccc(C(=O)O)cc3)N(S(=O)(=O)CCc3ccccc3)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
LTA4H P09960 9/20 0.41
ATM Q13315 1/20 0.40
MMP8 P22894 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
KMT2A Q03164 1/20 0.39
EP300 Q09472 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
TAS2R14 Q9NYV8 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
SCHEMBL7148821 1.00 TP53 (0.42) TP53MAPTLTA4HATMMMP8
SCHEMBL7151387 0.93 MAPK1 (0.46) TP53MAPTATMKMT2A
SCHEMBL7138647 0.93 MAPK1 (0.46) TP53MAPTATMKMT2A
SCHEMBL7140472 0.85 MMP13 (0.44) MMP8MMP12MMP13TAS2R14
SCHEMBL7150476 0.82 MME (0.46) MAPTLTA4HMMP8MMP12MMP13
SCHEMBL7138193 0.82 MME (0.46) MAPTLTA4HMMP8MMP12MMP13
SCHEMBL7141952 0.80 MMP8 (0.48) MMP8MMP12MMP13
SCHEMBL7151380 0.80 MAPT (0.41) TP53MAPTMMP8MMP12MMP13
SCHEMBL7150285 0.75 MAPT (0.46) TP53MAPTKMT2A
SCHEMBL7136104 0.75 MAPT (0.46) TP53MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303485-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
US-6541638-B2 (2S,4S)-1-(4-Mercapto-1-(naphthalene-2-sulfonyl)-pyrrolidine-2 -carbonyl)-piperidine-4-carboxylic acid ethyl ester for example; zinc protease inhibitors; for treating diseases associated with vasoconstriction HOFFMAN-LA ROCHE INC. 2003-04-01 US disclosed
US-20020049243-A1 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. 2002-04-25 US disclosed
WO-2002006222-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 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 (1 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-20020049243-A1 Pyrrolidine derivatives PREP, PEPD, DNPEP TP53 1366/4885MAPT 2428/4885LTA4H 325/4885

“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.