SCHEMBL3211529

SCHEMBL3211529

CCOC(=O)[C@@H](CC(C)(C)F)NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.56
CTSS P25774 6/20 0.56
CTSB P07858 3/20 0.56
CTSK P43235 7/20 0.51
SYK P43405 1/20 0.51
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
KYNU Q16719 1/20 0.48

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
SCHEMBL3211516 1.00 CTSL (0.56) CTSLCTSSCTSBCTSKSYK
SCHEMBL2745896 1.00 CTSL (0.56) CTSLCTSSCTSBCTSKSYK
SCHEMBL18455295 0.92 CTSL (0.53) CTSLCTSSCTSBCTSKSYK
SCHEMBL16346611 0.90 KYNU (0.59) CTSLCTSSCTSBCTSKSYK
SCHEMBL24103408 0.85 CTSK (0.62) CTSLCTSSCTSBCTSKSYK
SCHEMBL31054911 0.84 CTSL (0.48) CTSLCTSSCTSBCTSKSYK
SCHEMBL29399827 0.84 CTSL (0.54) CTSLCTSSCTSBCTSKALDH1A1
SCHEMBL6440666 0.84 CTSL (0.64) CTSLCTSSCTSBCTSKALDH1A1
SCHEMBL6440663 0.84 CTSL (0.64) CTSLCTSSCTSBCTSKALDH1A1
SCHEMBL31528405 0.84 CTSK (0.55) CTSLCTSSCTSBCTSKALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063013-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2010-03-11 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-20100063013-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSS, CTSB, CTSZ CTSL 8/4885CTSS 1/4885CTSB 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.