SCHEMBL6183082

SCHEMBL6183082

CC(C)CCN(C(=O)NCC#N)C(=O)c1ccc(-c2csc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.46
CTSB P07858 14/20 0.46
CTSL P07711 13/20 0.46
CTSK P43235 7/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL6182191 0.91 MAPT (0.55) CTSSCTSBCTSLCTSKMAPT
SCHEMBL6182283 0.89 CTSB (0.44) CTSSCTSBCTSLCTSKMAPT
SCHEMBL6183250 0.88 MAPT (0.44) CTSSCTSBCTSLCTSKMAPT
SCHEMBL7588285 0.88 MAPT (0.45) CTSSCTSBCTSLCTSKMAPT
SCHEMBL6185231 0.87 GPR119 (0.40) CTSSCTSBCTSLCTSKMAPT
SCHEMBL6184273 0.82 CTSB (0.49) CTSSCTSBCTSLCTSKMAPT
SCHEMBL6183083 0.79 CTSS (0.49) CTSSCTSBCTSLCTSKMAPT
SCHEMBL6183501 0.79 HRH3 (0.38) CTSSCTSBCTSLCTSK
SCHEMBL7586301 0.79 MAPT (0.56) CTSSCTSBCTSLCTSKMAPT
SCHEMBL6183363 0.78 ENPP2 (0.46) CTSSCTSBCTSLMAPTLMNA

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
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

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