SCHEMBL7149981

SCHEMBL7149981

CN(CC(=O)Nc1ccc(C(=O)O)cc1)C(=O)C1CC(S)CN1S(=O)(=O)/C=C/c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.45
ACE P12821 1/20 0.45
ECE1 P42892 1/20 0.45
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.39
LTA4H P09960 3/20 0.37
FKBP1A P62942 4/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
GAA P10253 1/20 0.36
MMP8 P22894 2/20 0.36
MMP3 P08254 1/20 0.36
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL7134807 1.00 MME (0.45) MMEACEECE1KMT2APOLB
SCHEMBL7149987 1.00 MME (0.45) MMEACEECE1KMT2APOLB
SCHEMBL7147197 0.90 MME (0.46) MMEACEECE1KMT2AALDH1A1
SCHEMBL7140139 0.90 MME (0.46) MMEACEECE1KMT2AALDH1A1
SCHEMBL7140974 0.84 MME (0.47) MMEACEECE1KMT2ALTA4H
SCHEMBL7140980 0.84 MME (0.47) MMEACEECE1KMT2ALTA4H
SCHEMBL7138193 0.82 MME (0.46) MMEACEECE1KMT2APOLB
SCHEMBL7150476 0.82 MME (0.46) MMEACEECE1KMT2APOLB
SCHEMBL7135602 0.81 MME (0.43) MMEACEECE1KMT2AFKBP1A
SCHEMBL7143562 0.80 ECE1 (0.70) MMEACEECE1POLBALDH1A1

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.