SCHEMBL6182540

SCHEMBL6182540

CN(C#N)C(=O)C1(NC(=O)c2ccc(-c3csc(-c4ccncc4)n3)cc2)CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSB P07858 19/20 0.52
CTSS P25774 19/20 0.52
CTSL P07711 17/20 0.49
CTSK P43235 2/20 0.48
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL6182545 0.84 CTSB (0.75) CTSBCTSSCTSLCTSK
SCHEMBL7426977 0.80 CTSB (0.74) CTSBCTSSCTSLCTSK
SCHEMBL6182241 0.79 CTSB (0.54) CTSBCTSSCTSLCTSKNPC1
SCHEMBL6185248 0.75 RAB9A (0.47) NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL6182748 0.75 CTSL (0.49) CTSBCTSSCTSLCTSK
SCHEMBL6182603 0.75 CTSL (0.49) CTSBCTSSCTSLCTSK
SCHEMBL6183362 0.75 CTSL (0.64) CTSBCTSSCTSLCTSKMAPT
SCHEMBL6182694 0.74 CTSB (0.50) CTSBCTSSCTSLCTSK
SCHEMBL6185252 0.74 RAB9A (0.48) CTSBCTSSCTSLCTSKNPC1
SCHEMBL2918749 0.74 CTSL (0.54) 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 3 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-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 (1 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

“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.