SCHEMBL6182260

SCHEMBL6182260

CC(C)CCN(C(=O)NC1(C#N)CC1)C(=O)c1ccc(-c2csc(CN3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSB P07858 4/20 0.42
CTSS P25774 4/20 0.42
CTSL P07711 3/20 0.42
USP30 Q70CQ3 1/20 0.35
TBK1 Q9UHD2 4/20 0.35
GPR119 Q8TDV5 10/20 0.35
CTSK P43235 2/20 0.34
ACKR3 P25106 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL7616960 0.90 CTSS (0.45) CTSBCTSSCTSLCTSKKCNH2
SCHEMBL6182283 0.89 CTSB (0.44) CTSBCTSSCTSLCTSKKCNH2
SCHEMBL6183519 0.87 ITGB3 (0.42) USP30GPR119
SCHEMBL6182262 0.81 CTSL (0.48) CTSBCTSSCTSLUSP30TBK1
SCHEMBL7536935 0.79 CTSB (0.49) CTSBCTSSCTSLCTSKKCNH2
SCHEMBL6183082 0.78 CTSS (0.46) CTSBCTSSCTSLCTSK
SCHEMBL6183439 0.75 ACKR3 (0.45) CTSBCTSSCTSLUSP30GPR119
SCHEMBL6183250 0.75 MAPT (0.44) CTSBCTSSCTSLUSP30GPR119
SCHEMBL7588285 0.74 MAPT (0.45) CTSBCTSSCTSLUSP30GPR119
SCHEMBL7616975 0.70 CTSS (0.51) CTSBCTSSCTSLCTSKKCNH2

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 12 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
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
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.