SCHEMBL7140190

SCHEMBL7140190

CN(Cc1ccccc1)C(=O)[C@H]1C[C@@H](S)CN1C(=O)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.49
CPT1A P50416 1/20 0.49
POLB P06746 1/20 0.43
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
MAOA P21397 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL7137783 0.88 CPT2 (0.48) CPT2CPT1APOLBNPC1RAB9A
SCHEMBL7143079 0.83 CPT2 (0.47) CPT2CPT1APOLBNPC1RAB9A
SCHEMBL7144165 0.83 CPT2 (0.44) CPT2CPT1APOLBNPC1RAB9A
SCHEMBL7139208 0.82 CPT2 (0.46) CPT2CPT1APOLBNPC1RAB9A
SCHEMBL7150475 0.79 MEN1 (0.46) CPT2CPT1APOLBNPC1RAB9A
SCHEMBL7137929 0.79 ACHE (0.46) CPT2CPT1ANPC1RAB9A
SCHEMBL7144151 0.79 SMN1; SMN2 (0.49) CPT2CPT1AALDH1A1SMN1; SMN2HTT
SCHEMBL7135172 0.79 MEN1 (0.46) CPT2CPT1APOLBNPC1RAB9A
SCHEMBL7144894 0.79 POLB (0.54) CPT2CPT1APOLBNPC1RAB9A
SCHEMBL7141026 0.79 POLB (0.54) CPT2CPT1APOLBNPC1RAB9A

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 CPT2 2895/4885CPT1A 2027/4885POLB 1465/4885

“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.