SCHEMBL5530625

SCHEMBL5530625

COc1cc(C(=O)N[C@@H](CC2CCCCC2)C(=O)NCC#N)cc(OC)c1OC

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.69
CTSL P07711 9/20 0.69
CTSK P43235 7/20 0.69
CTSB P07858 1/20 0.69
TDP1 Q9NUW8 1/20 0.57
GRN P28799 1/20 0.48
SORT1 Q99523 1/20 0.48
POLB P06746 1/20 0.46
MAPK1 P28482 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
SCHEMBL5525376 0.89 CTSS (0.70) CTSSCTSLCTSKCTSB
SCHEMBL5527644 0.89 CTSS (0.72) CTSSCTSLCTSKCTSBGRN
SCHEMBL5527567 0.83 CTSS (0.78) CTSSCTSLCTSKCTSB
SCHEMBL5529201 0.83 CTSL (0.77) CTSSCTSLCTSKCTSBMAPK1
SCHEMBL5520550 0.82 CTSS (0.72) CTSSCTSLCTSKCTSB
SCHEMBL5530445 0.82 CTSL (1.00) CTSSCTSLCTSKCTSB
SCHEMBL5525339 0.82 CTSL (1.00) CTSSCTSLCTSKCTSB
SCHEMBL6867271 0.82 CTSL (1.00) CTSSCTSLCTSKCTSB
SCHEMBL6875796 0.82 CTSL (1.00) CTSSCTSLCTSKCTSB
SCHEMBL5520609 0.81 CTSS (0.61) CTSSCTSLCTSKCTSB

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 6 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
EP-1452522-A2 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-09-01 EP 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
US-20030096796-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-05-22 US disclosed
US-6455502-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-09-24 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 (3 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-20030096796-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSS 10/4885CTSL 14/4885CTSK 32/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSS 10/4885CTSL 14/4885CTSK 32/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSS 10/4885CTSL 14/4885CTSK 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.