SCHEMBL13624421

SCHEMBL13624421

CC[C@@H](CNc1ccc(OCC(=O)N2CCOCC2)cc1OC)NC(=O)[C@H](CC(C)(C)F)N[C@@H](c1ccccc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.44
CTSS P25774 7/20 0.44
CTSK P43235 7/20 0.44
CTSB P07858 1/20 0.41
CTSF Q9UBX1 1/20 0.41
KMT2A Q03164 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.39
FKBP1A P62942 1/20 0.39
PDK2 Q15119 1/20 0.39
MGLL Q99685 1/20 0.38
ABHD6 Q9BV23 1/20 0.38

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
SCHEMBL13624420 0.94 ALDH1A1 (0.37) CTSLCTSSCTSKPDK2
SCHEMBL4367886 0.88 CTSK (0.43) CTSLCTSKCTSBCTSFKMT2A
SCHEMBL4367894 0.88 CTSK (0.43) CTSLCTSKCTSBCTSFKMT2A
SCHEMBL4375019 0.86 CTSL (0.40) CTSLCTSKCTSBCTSFKMT2A
SCHEMBL13624306 0.86 CTSL (0.42) CTSLCTSKCTSBCTSFKMT2A
SCHEMBL13624172 0.85 TAS1R3 (0.47) CTSLCTSSCTSKCTSBCTSF
SCHEMBL13624419 0.85 CTSL (0.39) CTSLCTSKCTSBCTSFKMT2A
SCHEMBL13634972 0.85 CTSL (0.41) CTSLCTSKCTSBCTSFKMT2A
SCHEMBL13624422 0.85 CTSL (0.38) CTSLCTSKCTSBCTSFKMT2A
SCHEMBL4371069 0.83 CTSL (0.44) CTSLCTSSCTSKCTSBCTSF

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 24/4885CTSS 5/4885CTSK 15/4885

“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.