SCHEMBL13620393

SCHEMBL13620393

CCCNC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccc(OCC2CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLG P00747 9/20 0.57
PRSS1 P07477 6/20 0.57
PRSS2 P07478 6/20 0.57
PRSS3 P35030 6/20 0.57
L3MBTL1 Q9Y468 2/20 0.53
CTSL P07711 2/20 0.51
CTSS P25774 2/20 0.51
KIFC1 Q9BW19 2/20 0.47
KLKB1 P03952 1/20 0.47
SLC6A5 Q9Y345 3/20 0.46
PLAU P00749 1/20 0.45
MTTP P55157 1/20 0.45

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
SCHEMBL4369015 0.92 PLG (0.52) PLGPRSS1PRSS2PRSS3CTSL
SCHEMBL4372754 0.92 PLG (0.52) PLGPRSS1PRSS2PRSS3CTSL
SCHEMBL4361637 0.89 PLG (0.51) PLGPRSS1PRSS2PRSS3L3MBTL1
SCHEMBL13620391 0.89 L3MBTL1 (0.53) PLGPRSS1PRSS2PRSS3L3MBTL1
SCHEMBL27745470 0.88 PLG (0.50) PLGPRSS1PRSS2PRSS3CTSL
SCHEMBL4376250 0.84 CTSL (0.51) PLGPRSS1PRSS2PRSS3L3MBTL1
SCHEMBL4375994 0.84 KLKB1 (0.52) PLGPRSS1PRSS2PRSS3L3MBTL1
SCHEMBL4368444 0.83 KLKB1 (0.53) PLGPRSS1PRSS2PRSS3CTSL
SCHEMBL4370324 0.83 KLKB1 (0.53) PLGPRSS1PRSS2PRSS3CTSL
SCHEMBL4364749 0.83 PLG (0.51) PLGPRSS1PRSS2PRSS3CTSL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090292024-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-11-26 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-20090292024-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME PTMS, C1S, ACP3 PLG 697/4885PRSS1 95/4885PRSS2 663/4885

“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.