SCHEMBL7150476

SCHEMBL7150476

CN(CC(=O)Nc1ccc(C(=O)O)cc1)C(=O)[C@@H]1C[C@@H](S)CN1S(=O)(=O)CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.46
ACE P12821 1/20 0.46
ECE1 P42892 1/20 0.46
KMT2A Q03164 1/20 0.42
LTA4H P09960 8/20 0.40
MMP8 P22894 3/20 0.39
MMP3 P08254 1/20 0.39
MMP1 P03956 1/20 0.39
MMP7 P09237 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
FKBP1A P62942 2/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 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
SCHEMBL7138193 1.00 MME (0.46) MMEACEECE1KMT2ALTA4H
SCHEMBL7140980 0.92 MME (0.47) MMEACEECE1KMT2ALTA4H
SCHEMBL7140974 0.92 MME (0.47) MMEACEECE1KMT2ALTA4H
SCHEMBL7150285 0.90 MAPT (0.46) MMEACEECE1KMT2ALMNA
SCHEMBL7136104 0.90 MAPT (0.46) MMEACEECE1KMT2ALMNA
SCHEMBL7141597 0.86 MAPT (0.45) MMEACEECE1KMT2ALMNA
SCHEMBL7152599 0.86 MAPT (0.45) MMEACEECE1KMT2ALMNA
SCHEMBL7148177 0.82 MAPT (0.52) MMEACEECE1KMT2ALMNA
SCHEMBL7141907 0.82 MAPT (0.52) MMEACEECE1KMT2ALMNA
SCHEMBL7149987 0.82 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.