SCHEMBL7140980

SCHEMBL7140980

CN(CC(=O)Nc1ccc(C(=O)O)cc1)C(=O)[C@@H]1C[C@H](S)CN1S(=O)(=O)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.47
ACE P12821 1/20 0.47
ECE1 P42892 1/20 0.47
KMT2A Q03164 1/20 0.43
LTA4H P09960 8/20 0.41
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
RORC P51449 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
SCHEMBL7140974 1.00 MME (0.47) MMEACEECE1KMT2ALTA4H
SCHEMBL7138193 0.92 MME (0.46) MMEACEECE1KMT2ALTA4H
SCHEMBL7150476 0.92 MME (0.46) MMEACEECE1KMT2ALTA4H
SCHEMBL7141907 0.90 MAPT (0.52) MMEACEECE1KMT2AGAA
SCHEMBL7148177 0.90 MAPT (0.52) MMEACEECE1KMT2AGAA
SCHEMBL7139389 0.84 MME (0.39) MMEACEECE1KMT2AGAA
SCHEMBL7139393 0.84 MME (0.39) MMEACEECE1KMT2AGAA
SCHEMBL7134807 0.84 MME (0.45) MMEACEECE1KMT2ALTA4H
SCHEMBL7149987 0.84 MME (0.45) MMEACEECE1KMT2ALTA4H
SCHEMBL7149981 0.84 MME (0.45) MMEACEECE1KMT2ALTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MME 99/4885ACE 44/4885ECE1 4/4885

“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.