SCHEMBL7043076

SCHEMBL7043076

CC(C)C[C@H](NC(=O)c1ccc(-c2csc(C3=CCN(C)C=C3)n2)cc1)C(=O)NCC#N

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSB P07858 8/20 0.55
CTSK P43235 9/20 0.52
CTSL P07711 13/20 0.50
CTSS P25774 8/20 0.50

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
SCHEMBL7043084 0.89 CTSK (0.49) CTSBCTSKCTSLCTSS
SCHEMBL6183067 0.88 CTSB (0.49) CTSBCTSKCTSLCTSS
SCHEMBL6183919 0.88 CTSL (0.44) CTSBCTSKCTSLCTSS
SCHEMBL7046411 0.87 CTSB (0.54) CTSBCTSKCTSLCTSS
SCHEMBL7486617 0.87 CTSB (0.45) CTSBCTSKCTSLCTSS
SCHEMBL6183458 0.82 CTSB (0.63) CTSBCTSKCTSLCTSS
SCHEMBL6182464 0.80 CTSK (0.64) CTSBCTSKCTSLCTSS
SCHEMBL6185539 0.80 CTSB (0.68) CTSBCTSKCTSLCTSS
SCHEMBL6181560 0.80 CTSB (0.68) CTSBCTSKCTSLCTSS
SCHEMBL6183146 0.80 CTSB (0.68) CTSBCTSKCTSLCTSS

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 8 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
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

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 CTSB 11/4885CTSK 32/4885CTSL 14/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSB 11/4885CTSK 32/4885CTSL 14/4885

“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.