SCHEMBL7143079

SCHEMBL7143079

CN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H](S)CN1C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.47
CPT1A P50416 1/20 0.47
POLB P06746 2/20 0.44
HTR2C P28335 1/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PREP P48147 2/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL7144688 0.86 ECE1 (0.46) CPT2CPT1APOLBLMNASMN1; SMN2
SCHEMBL7139208 0.86 CPT2 (0.46) CPT2CPT1APOLBLMNASMN1; SMN2
SCHEMBL7137783 0.85 CPT2 (0.48) CPT2CPT1APOLBSMN1; SMN2NPC1
SCHEMBL9044938 0.84 POLB (0.39) POLBLMNASMN1; SMN2KDM4ENPC1
SCHEMBL7140190 0.83 CPT2 (0.49) CPT2CPT1APOLBSMN1; SMN2NPC1
SCHEMBL7149001 0.81 POLB (0.41) POLBHTR2CLMNASMN1; SMN2PREP
SCHEMBL7141868 0.81 DCUN1D1 (0.41) POLBHTR2CSMN1; SMN2PREPNPC1
SCHEMBL7143386 0.81 POLB (0.41) POLBHTR2CSMN1; SMN2PREPPSEN1
SCHEMBL7144165 0.80 CPT2 (0.44) CPT2CPT1APOLBSMN1; SMN2KDM4E
SCHEMBL9044936 0.80 POLB (0.41) POLBLMNAPREPKDM4E

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.