SCHEMBL12327770

SCHEMBL12327770

CC(=O)c1ccc(-c2ccc([C@H](N[C@@H](CC(C)C)C(=O)NC3(N)CC3)C(F)(F)F)cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 14/20 0.50
CTSK P43235 12/20 0.49
CTSS P25774 10/20 0.47
CTSB P07858 9/20 0.47

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
SCHEMBL2157368 0.88 CTSL (0.68) CTSLCTSKCTSSCTSB
SCHEMBL8352011 0.82 CTSL (0.52) CTSLCTSKCTSSCTSB
SCHEMBL2155055 0.76 CTSL (0.84) CTSLCTSKCTSSCTSB
SCHEMBL8293572 0.76 CTSK (0.76) CTSLCTSKCTSSCTSB
SCHEMBL2155822 0.76 CTSL (0.73) CTSLCTSKCTSSCTSB
SCHEMBL8294942 0.75 CTSL (0.61) CTSLCTSKCTSSCTSB
SCHEMBL8294127 0.75 CTSL (0.61) CTSLCTSKCTSSCTSB
SCHEMBL2156491 0.74 CTSL (0.81) CTSLCTSKCTSSCTSB
SCHEMBL2156778 0.73 CTSL (0.66) CTSLCTSKCTSSCTSB
SCHEMBL8288060 0.73 CTSK (0.81) CTSLCTSKCTSSCTSB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130035312-A1 CATHEPSIN CYSTEINE PROTEASE INHIBIORS AXYS PHARMACEUTICALS, INC. (US) 2013-02-07 US disclosed
US-8318748-B2 Cathepsin cysteine protease inhibitors Merck, Sharp & Dohme Corp. (US) 2012-11-27 US disclosed
US-20110230446-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2011-09-22 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 (2 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-20130035312-A1 CATHEPSIN CYSTEINE PROTEASE INHIBIORS CTSB, CTSS, CTSZ CTSL 8/4885CTSK 4/4885CTSS 2/4885
US-20110230446-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ CTSL 8/4885CTSK 4/4885CTSS 2/4885

“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.