SCHEMBL6182250

SCHEMBL6182250

N#CCNC(=O)C1(NC(=O)c2ccc(-c3csc(NC4CCNCC4)n3)cc2)CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSB P07858 20/20 0.74
CTSS P25774 20/20 0.74
CTSL P07711 19/20 0.74
CTSK P43235 3/20 0.61

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
SCHEMBL6182697 0.86 CTSB (0.65) CTSBCTSSCTSLCTSK
SCHEMBL6182241 0.85 CTSB (0.54) CTSBCTSSCTSLCTSK
SCHEMBL6182680 0.84 CTSB (0.64) CTSBCTSSCTSLCTSK
SCHEMBL6181770 0.82 CTSB (0.83) CTSBCTSSCTSLCTSK
SCHEMBL6181178 0.81 CTSB (0.84) CTSBCTSSCTSLCTSK
SCHEMBL6182545 0.79 CTSB (0.75) CTSBCTSSCTSLCTSK
SCHEMBL7043152 0.78 CTSK (0.58) CTSBCTSSCTSLCTSK
SCHEMBL4576474 0.77 CTSL (0.66) CTSBCTSSCTSLCTSK
SCHEMBL7044811 0.77 CTSL (0.45) CTSBCTSSCTSLCTSK
SCHEMBL7436487 0.76 CTSB (0.68) CTSBCTSSCTSLCTSK

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 14 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 claimed
US-20030119788-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-06-26 US claimed
JP-2002539192-A 2002-11-19 JP 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
EP-1161415-A2 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP claimed
WO-2001068645-A2 N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-09-20 WO claimed
WO-2000055126-A2 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 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
WO-2001068645-A2 N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-09-20 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 CTSB 11/4885CTSS 10/4885CTSL 14/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSB 11/4885CTSS 10/4885CTSL 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.