SCHEMBL13624317

SCHEMBL13624317

CC[C@@H](CNc1ccc(N2CCCC2=O)cc1)NC(=O)[C@H](CC(C)C)N[C@@H](c1ccc(OC)nc1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
CTSK P43235 10/20 0.40
CTSL P07711 8/20 0.37
CTSB P07858 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.35
CTSS P25774 5/20 0.35
MAPT P10636 1/20 0.34
ATM Q13315 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
SCHEMBL13624289 0.86 CTSK (0.48) CTSKCTSLCTSBALDH1A1CTSS
SCHEMBL13624318 0.86 CTSL (0.45) CTSKCTSLCTSBCTSS
SCHEMBL13624434 0.84 CTSK (0.41) SMN1; SMN2CTSKCTSLCTSBLMNA
SCHEMBL13624310 0.84 CTSK (0.53) CTSKCTSLCTSBCTSS
SCHEMBL13624391 0.84 CTSK (0.40) HTTCTSKCTSLCTSBCTSS
SCHEMBL13624316 0.83 CTSK (0.39) CTSKCTSLCTSBCTSS
SCHEMBL13624312 0.83 CTSK (0.41) CTSKCTSLCTSBCTSS
SCHEMBL13624315 0.82 CTSK (0.40) CTSKCTSLCTSBCTSSMAPT
SCHEMBL13624430 0.82 CTSK (0.40) CTSKCTSLCTSBCTSS
SCHEMBL13624397 0.81 CTSK (0.39) CTSKCTSLCTSBCTSS

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 SMN1; SMN2 4525/4885NPC1 501/4885HTT 1913/4885

“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.