SCHEMBL5529202

SCHEMBL5529202

Cc1cccc(Cl)c1NC(=O)Nc1cccc(C(=O)N[C@@H](CC2CCCCC2)C(=O)NCC#N)c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 12/20 0.61
CTSS P25774 9/20 0.61
CTSK P43235 6/20 0.61
CTSB P07858 5/20 0.61
PYGL P06737 7/20 0.58
CTSV O60911 5/20 0.47
CYP2C9 P11712 1/20 0.45

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
SCHEMBL5529198 0.87 PYGL (0.54) CTSLCTSSCTSKCTSBPYGL
SCHEMBL6590407 0.84 CTSL (0.74) CTSLCTSSCTSKCTSBCTSV
SCHEMBL5526795 0.84 CTSL (0.74) CTSLCTSSCTSKCTSBCTSV
SCHEMBL5528430 0.83 CTSL (0.70) CTSLCTSSCTSKCTSBCTSV
SCHEMBL5529205 0.83 PYGL (0.55) CTSLCTSSCTSKCTSBPYGL
SCHEMBL5522778 0.81 CTSL (0.78) CTSLCTSSCTSKCTSBCTSV
SCHEMBL5528519 0.80 CTSL (0.80) CTSLCTSSCTSKCTSBCTSV
SCHEMBL5526298 0.80 CTSL (0.80) CTSLCTSSCTSKCTSBCTSV
SCHEMBL5528523 0.80 CTSL (0.80) CTSLCTSSCTSKCTSBCTSV
SCHEMBL5526263 0.80 CTSL (0.80) CTSLCTSSCTSKCTSBCTSV

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-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 US disclosed
US-20040147745-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-07-29 US disclosed
EP-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 EP 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-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSL 14/4885CTSS 10/4885CTSK 32/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSL 14/4885CTSS 10/4885CTSK 32/4885

“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.