SCHEMBL6740847

SCHEMBL6740847

N#CCNC(=O)C(CNC(=O)N1CCOCC1)S(=O)(=O)Cc1ccccc1OC(F)F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.41
CTSS P25774 15/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
ADRB2 P07550 1/20 0.38
ADRB3 P13945 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6063314 0.87 CTSS (0.40) ADRB1CTSSCTSLCTSBCTSK
SCHEMBL7656057 0.87 CTSS (0.40) ADRB1CTSSCTSLCTSBCTSK
SCHEMBL6740690 0.86 CTSS (0.45) CTSSCTSLCTSBCTSK
SCHEMBL6744961 0.84 CTSS (0.48) CTSSCTSLCTSBCTSK
SCHEMBL1557679 0.83 CTSS (0.50) CTSSCTSLCTSB
SCHEMBL1987948 0.83 CTSS (0.50) CTSSCTSLCTSB
SCHEMBL6743166 0.82 CTSS (0.41) CTSSCTSLCTSBCTSKKMT2A
SCHEMBL7658556 0.82 CTSL (0.42) CTSSCTSLCTSBCTSK
SCHEMBL6737505 0.82 CTSL (0.42) CTSSCTSLCTSBCTSK
SCHEMBL23752443 0.80 CTSS (0.39) CTSSCTSLCTSBCTSKKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors AXYS PHARMACEUTICALS, INC. 2004-01-22 US claimed
US-6492362-B1 Compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS, INC. 2002-12-10 US claimed
US-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors AXYS PHARMACEUTICALS, INC. 2004-01-22 US disclosed
US-6492362-B1 Compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS, INC. 2002-12-10 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-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors CTSS, CTSB, CTSE ADRB1 3076/4885CTSS 1/4885CTSL 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.