SCHEMBL13624338

SCHEMBL13624338

CC(C)C[C@H](N[C@@H](c1cccnc1)C(F)(F)F)C(=O)N[C@@H](C)CNc1ccc(N2CCOCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 11/20 0.46
CTSK P43235 9/20 0.46
CNR2 P34972 1/20 0.46
CTSS P25774 10/20 0.43
CTSB P07858 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL13624291 0.92 CTSL (0.50) CTSLCTSKCNR2CTSSCTSB
SCHEMBL13624335 0.90 CTSL (0.54) CTSLCTSKCTSSCTSBL3MBTL1
SCHEMBL13624340 0.85 CTSS (0.45) CTSLCTSKCTSSCTSB
SCHEMBL13624339 0.83 CTSK (0.53) CTSLCTSKCTSSCTSB
SCHEMBL13624337 0.82 CTSS (0.46) CTSLCTSKCTSSCTSBSMN1; SMN2
SCHEMBL13624418 0.81 CTSL (0.57) CTSLCTSKCTSSCTSBL3MBTL1
SCHEMBL13624416 0.79 CTSL (0.56) CTSLCTSKCTSSCTSBL3MBTL1
SCHEMBL13624381 0.79 CTSL (0.56) CTSLCTSKCTSSCTSBL3MBTL1
SCHEMBL13624356 0.79 CTSL (0.55) CTSLCTSKCTSSCTSB
SCHEMBL4364254 0.79 CTSL (0.55) CTSLCTSKCTSSCTSBL3MBTL1

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 24/4885CTSK 15/4885CNR2 3065/4885

“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.