SCHEMBL6182262

SCHEMBL6182262

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 10/20 0.48
CTSB P07858 10/20 0.48
CTSS P25774 10/20 0.48
ACKR3 P25106 3/20 0.38
PCSK9 Q8NBP7 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
CTSK P43235 2/20 0.35
ALK Q9UM73 2/20 0.35
TBK1 Q9UHD2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
USP30 Q70CQ3 1/20 0.34

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
SCHEMBL7616975 0.90 CTSS (0.51) CTSLCTSBCTSSCTSKALK
SCHEMBL6182285 0.89 CTSB (0.47) CTSLCTSBCTSSCTSKSMN1; SMN2
SCHEMBL6183524 0.87 ENPP2 (0.41) CTSLCTSBCTSSGPR119NPC1
SCHEMBL6182260 0.81 CTSB (0.42) CTSLCTSBCTSSACKR3GPR119
SCHEMBL6183083 0.78 CTSS (0.49) CTSLCTSBCTSSCTSKSMN1; SMN2
SCHEMBL6184409 0.78 CTSS (0.58) CTSLCTSBCTSSCTSK
SCHEMBL6183392 0.77 CTSB (0.49) CTSLCTSBCTSSCTSK
SCHEMBL6183253 0.75 CTSB (0.46) CTSLCTSBCTSSCTSKNPC1
SCHEMBL6183439 0.74 ACKR3 (0.45) CTSLCTSBCTSSACKR3GPR119
SCHEMBL6185188 0.74 CTSS (0.42) CTSLCTSBCTSSCTSKNPC1

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 10 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-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

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.