SCHEMBL13644569

SCHEMBL13644569

CCCC(NC(=O)C1[C@H]2CC[C@H](F)[C@H]2CN1C(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C(=O)C(=O)N[C@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 13/20 0.44
CTSL P07711 3/20 0.40
CTSK P43235 3/20 0.40
CTSB P07858 2/20 0.40
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
ELANE P08246 1/20 0.37
CTSG P08311 1/20 0.37

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
SCHEMBL13091681 1.00 CMA1 (0.44) CMA1CTSLCTSKCTSBLMNA
SCHEMBL12012605 1.00 CMA1 (0.44) CMA1CTSLCTSKCTSBLMNA
SCHEMBL16143227 1.00 CMA1 (0.44) CMA1CTSLCTSKCTSBLMNA
SCHEMBL464045 1.00 CMA1 (0.44) CMA1CTSLCTSKCTSBLMNA
SCHEMBL464081 0.92 CTSB (0.44) CMA1CTSLCTSKCTSB
SCHEMBL463921 0.92 CTSB (0.44) CMA1CTSLCTSKCTSB
SCHEMBL16143229 0.92 CTSB (0.44) CMA1CTSLCTSKCTSB
SCHEMBL13091688 0.92 CTSB (0.44) CMA1CTSLCTSKCTSB
SCHEMBL12012606 0.92 CTSB (0.44) CMA1CTSLCTSKCTSB
SCHEMBL16143988 0.89 CTSK (0.50) CTSLCTSKCTSB

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-8529882-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 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-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP CMA1 28/4885CTSL 5/4885CTSK 46/4885

“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.