SCHEMBL13624202

SCHEMBL13624202

CC(C)C[C@H](N[C@@H](c1ccccn1)C(F)(F)F)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRN P28799 1/20 0.55
SORT1 Q99523 1/20 0.55
CTSL P07711 16/20 0.51
CTSS P25774 10/20 0.51
CTSK P43235 9/20 0.51
CTSB P07858 7/20 0.51
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL2154979 0.83 CTSL (0.70) GRNSORT1CTSLCTSSCTSK
SCHEMBL13624187 0.83 CTSL (0.70) GRNSORT1CTSLCTSSCTSK
SCHEMBL14579994 0.83 CTSL (0.70) GRNSORT1CTSLCTSSCTSK
SCHEMBL13624201 0.78 GRN (0.58) GRNSORT1CTSLCTSSCTSK
SCHEMBL12259314 0.76 CNR2 (0.42) CNR1CNR2
SCHEMBL13624191 0.75 CTSL (0.71) GRNSORT1CTSLCTSSCTSK
SCHEMBL7377704 0.74 GRN (0.43) GRNSORT1CTSLCTSK
SCHEMBL2155758 0.74 GRN (0.64) GRNSORT1CTSLCTSSCTSK
SCHEMBL14889767 0.74 CNR2 (0.51) CNR1CNR2
SCHEMBL14889697 0.74 CNR2 (0.51) CNR1CNR2

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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA 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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF GRN 1362/4885SORT1 1642/4885CTSL 24/4885

“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.