SCHEMBL6183053

SCHEMBL6183053

CC(C)C[C@H](NC(=O)C1CCN(Cc2csc(N3CCNCC3)n2)CC1)C(=O)NCC#N

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 15/20 0.51
CTSS P25774 15/20 0.51
CTSB P07858 14/20 0.51
CTSK P43235 11/20 0.51
ACKR3 P25106 1/20 0.42
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL7487225 0.87 CTSK (0.40) CTSLCTSSCTSBCTSKACKR3
SCHEMBL6183060 0.80 CTSB (0.40) CTSLCTSSCTSBCTSKACKR3
SCHEMBL6182905 0.77 CTSK (0.61) CTSLCTSSCTSBCTSK
SCHEMBL6181105 0.75 CTSK (0.71) CTSLCTSSCTSBCTSK
SCHEMBL6184474 0.75 CTSL (0.51) CTSLCTSSCTSBCTSK
SCHEMBL6181779 0.75 CTSK (0.58) CTSLCTSSCTSBCTSK
SCHEMBL6183507 0.68 CHRM4 (0.39) CTSLCTSSCTSBCTSKACKR3
Tert-Butyl Formate SCHEMBL27575976 0.67 AOC3 (0.44) ACKR3SMN1; SMN2
SCHEMBL6183501 0.67 HRH3 (0.38) CTSLCTSSCTSBCTSKACKR3
SCHEMBL4716426 0.67 CTSK (1.00) CTSLCTSSCTSBCTSK

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
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 CTSL 14/4885CTSS 10/4885CTSB 11/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSL 14/4885CTSS 10/4885CTSB 11/4885

“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.