SCHEMBL6181105

SCHEMBL6181105

CC(C)C[C@H](NC(=O)c1ccc(-c2csc(N3CCNCC3)n2)cc1)C(=O)NCC#N

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.71
CTSL P07711 18/20 0.69
CTSS P25774 16/20 0.69
CTSB P07858 15/20 0.69

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
SCHEMBL6182464 0.91 CTSK (0.64) CTSKCTSLCTSSCTSB
SCHEMBL6182195 0.90 CTSL (0.62) CTSKCTSLCTSSCTSB
SCHEMBL6182190 0.90 CTSL (0.62) CTSKCTSLCTSSCTSB
SCHEMBL7606091 0.87 CTSK (0.60) CTSKCTSLCTSSCTSB
SCHEMBL6183387 0.87 CTSK (0.60) CTSKCTSLCTSSCTSB
SCHEMBL6184317 0.86 CTSS (0.56) CTSKCTSLCTSSCTSB
SCHEMBL7486127 0.86 CTSK (0.55) CTSKCTSLCTSSCTSB
SCHEMBL6182905 0.85 CTSK (0.61) CTSKCTSLCTSSCTSB
SCHEMBL7043152 0.83 CTSK (0.58) CTSKCTSLCTSSCTSB
SCHEMBL6183146 0.82 CTSB (0.68) CTSKCTSLCTSSCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030119788-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-06-26 US claimed
US-6476026-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-11-05 US claimed
US-20020086996-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 US claimed
WO-2001068645-A2 N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-09-20 WO claimed
EP-1161415-B1 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-07-13 EP disclosed
US-6593327-B2 N-cyanomethyl amides which are cysteine protease inhibitors; treating osteoporosis; mixtures with bisphosphonates AXYS PHARMACEUTICALS, INC. 2003-07-15 US disclosed
US-20030119788-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-06-26 US disclosed
US-6476026-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-11-05 US disclosed
US-20020086996-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 US disclosed
EP-1161415-A2 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP disclosed
WO-2001068645-A2 N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-09-20 WO disclosed
WO-2000055126-A2 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO 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-20020086996-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSK 32/4885CTSL 14/4885CTSS 10/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSK 32/4885CTSL 14/4885CTSS 10/4885

“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.