SCHEMBL6182229

SCHEMBL6182229

CC(C)CC(NC(=O)c1cnccn1)C(=O)NCC#N

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.71
CTSB P07858 2/20 0.59
CTSS P25774 1/20 0.59
CTSK P43235 1/20 0.59
LONP1 P36776 10/20 0.56
PSMB5 P28074 6/20 0.54
PSMB11 A5LHX3 5/20 0.54
PSMA7 O14818 5/20 0.54
PSMB1 P20618 5/20 0.54
PSMA1 P25786 5/20 0.54
PSMA2 P25787 5/20 0.54
PSMA3 P25788 5/20 0.54
PSMA4 P25789 5/20 0.54
PSMB8 P28062 5/20 0.54
PSMB9 P28065 5/20 0.54
PSMA5 P28066 5/20 0.54
PSMB4 P28070 5/20 0.54
PSMB6 P28072 5/20 0.54
PSMB10 P40306 5/20 0.54
PSMB3 P49720 5/20 0.54

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
SCHEMBL12521542 0.89 CTSL (0.85) CTSLCTSBCTSSCTSKLONP1
SCHEMBL2125847 0.84 LONP1 (0.63) CTSLLONP1PSMB5PSMB11PSMA7
SCHEMBL28349151 0.83 LONP1 (0.61) CTSLLONP1PSMB5PSMB11PSMA7
SCHEMBL2125178 0.83 LONP1 (0.61) CTSLLONP1PSMB5PSMB11PSMA7
SCHEMBL2125581 0.81 LONP1 (0.59) CTSLLONP1PSMB5PSMB11PSMA7
SCHEMBL28372068 0.80 LONP1 (0.58) CTSLLONP1PSMB5PSMB11PSMA7
SCHEMBL2127010 0.80 PSMB5 (0.64) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL6182494 0.79 CTSL (0.79) CTSLCTSBCTSSCTSK
SCHEMBL38651792 0.79 CTSL (0.60) CTSL
SCHEMBL2127712 0.79 PSMB5 (0.63) LONP1PSMB5PSMB11PSMA7PSMB1

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 7 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-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 14/4885CTSB 11/4885CTSS 10/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSL 14/4885CTSB 11/4885CTSS 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.