SCHEMBL7135705

SCHEMBL7135705

CN(CC(=O)NCc1ccc(C(O[SiH](C)C)C(C)(C)C)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.56
TPSAB1 Q15661 1/20 0.56
ITGB3 P05106 2/20 0.41
ITGAV P06756 2/20 0.41
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PPARA Q07869 1/20 0.39
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.36
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
NPC1 O15118 1/20 0.35
CCR6 P51684 1/20 0.35
PAX8 Q06710 1/20 0.35
CACNA1H O95180 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
SCHEMBL7136752 0.79 PRSS1 (0.71) PRSS1TPSAB1ITGB3ITGAVALDH1A1
SCHEMBL7146925 0.79 PRSS1 (0.71) PRSS1TPSAB1ITGB3ITGAVALDH1A1
SCHEMBL11517533 0.73 PRSS1 (0.60) PRSS1TPSAB1ITGB3ITGAVALDH1A1
SCHEMBL31248355 0.72 PRSS1 (0.52) PRSS1TPSAB1ALDH1A1PPARALMNA
SCHEMBL7505433 0.72 PRSS1 (0.59) PRSS1TPSAB1ITGB3ITGAVALDH1A1
SCHEMBL25380156 0.71 PRSS1 (0.57) PRSS1TPSAB1ALDH1A1LMNAMEN1
SCHEMBL30576761 0.70 CTSL (0.58) PRSS1TPSAB1ITGB3ITGAVALDH1A1
SCHEMBL8426730 0.70 PRSS1 (0.56) PRSS1TPSAB1ALDH1A1L3MBTL1KMT2A
SCHEMBL17302432 0.70 PRSS1 (0.51) PRSS1TPSAB1L3MBTL1LMNAMEN1
SCHEMBL27617338 0.70 PRSS1 (0.54) PRSS1TPSAB1ALDH1A1LMNAMEN1

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 PRSS1 17/4885TPSAB1 196/4885ITGB3 4684/4885

“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.