SCHEMBL13624419

SCHEMBL13624419

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.39
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
CTSK P43235 3/20 0.37
CTSB P07858 4/20 0.37
CTSF Q9UBX1 4/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PDK2 Q15119 1/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
GPR88 Q9GZN0 1/20 0.34

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
SCHEMBL4367886 0.92 CTSK (0.43) CTSLTAS1R3TAS1R1CTSKCTSB
SCHEMBL4367894 0.92 CTSK (0.43) CTSLTAS1R3TAS1R1CTSKCTSB
SCHEMBL4375019 0.91 CTSL (0.40) CTSLTAS1R3TAS1R1CTSKCTSB
SCHEMBL13624172 0.90 TAS1R3 (0.47) CTSLTAS1R3TAS1R1CTSKCTSB
SCHEMBL13634972 0.89 CTSL (0.41) CTSLTAS1R3TAS1R1CTSKCTSB
SCHEMBL13624306 0.89 CTSL (0.42) CTSLTAS1R3TAS1R1CTSKCTSB
SCHEMBL13624422 0.88 CTSL (0.38) CTSLTAS1R3TAS1R1CTSKCTSB
SCHEMBL4371069 0.87 CTSL (0.44) CTSLTAS1R3TAS1R1CTSKCTSB
SCHEMBL13624286 0.87 CTSL (0.41) CTSLTAS1R3TAS1R1CTSKCTSB
SCHEMBL13624420 0.87 ALDH1A1 (0.37) CTSLTAS1R3TAS1R1CTSKNPC1

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 CTSL 24/4885TAS1R3 3970/4885TAS1R1 3363/4885

“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.