SCHEMBL4367886

SCHEMBL4367886

CC[C@@H](CNc1ccc(OCC(=O)O)cc1OC)NC(=O)[C@H](CC(C)(C)F)N[C@@H](c1ccccc1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.43
CTSL P07711 6/20 0.41
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
CTSB P07858 4/20 0.38
CTSF Q9UBX1 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GPR88 Q9GZN0 1/20 0.36

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
SCHEMBL4367894 1.00 CTSK (0.43) CTSKCTSLTAS1R3TAS1R1CTSB
SCHEMBL4375019 0.94 CTSL (0.40) CTSKCTSLTAS1R3TAS1R1CTSB
SCHEMBL13624172 0.93 TAS1R3 (0.47) CTSKCTSLTAS1R3TAS1R1CTSB
SCHEMBL13624419 0.92 CTSL (0.39) CTSKCTSLTAS1R3TAS1R1CTSB
SCHEMBL13634972 0.92 CTSL (0.41) CTSKCTSLTAS1R3TAS1R1CTSB
SCHEMBL13624306 0.91 CTSL (0.42) CTSKCTSLTAS1R3TAS1R1CTSB
SCHEMBL13624401 0.91 CTSK (0.51) CTSKCTSLCTSB
SCHEMBL13624422 0.90 CTSL (0.38) CTSKCTSLTAS1R3TAS1R1CTSB
SCHEMBL4371069 0.90 CTSL (0.44) CTSKCTSLTAS1R3TAS1R1CTSB
SCHEMBL13624286 0.90 CTSL (0.41) CTSKCTSLTAS1R3TAS1R1CTSB

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 3 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
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 CTSK 15/4885CTSL 24/4885TAS1R3 3970/4885

“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.