SCHEMBL6463767

SCHEMBL6463767

N#CC(O)(CCc1ccccc1)CNC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CTSS P25774 9/20 0.47
CTSL P07711 7/20 0.47
CTSB P07858 5/20 0.47
CTSK P43235 3/20 0.47
HTT P42858 1/20 0.46
PREP P48147 2/20 0.45
TGM2 P21980 1/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL6466473 0.84 CTSS (0.52) CTSSCTSLCTSBCTSKCA12
SCHEMBL7420756 0.80 LMNA (0.55) LMNASMN1; SMN2CTSSCTSLCTSB
SCHEMBL30757524 0.79 CTSS (0.52) LMNASMN1; SMN2CTSSCTSLCTSB
SCHEMBL18002248 0.75 SMN1; SMN2 (0.58) LMNASMN1; SMN2CTSSCTSLCTSB
Benzyl Phenethylcarbamate SCHEMBL27338403 0.74 LMNA (0.61) LMNASMN1; SMN2CTSSCTSLCTSB
SCHEMBL15289516 0.74 LMNA (0.57) LMNASMN1; SMN2CTSSCTSLCTSB
SCHEMBL1610211 0.74 CTSS (0.55) LMNASMN1; SMN2CTSSCTSLCTSB
SCHEMBL15776825 0.73 CTSS (0.55) LMNASMN1; SMN2CTSSCTSLCTSB
SCHEMBL8149899 0.73 LMNA (0.59) LMNASMN1; SMN2CTSSCTSLCTSB
SCHEMBL13741500 0.73 SMN1; SMN2 (0.59) LMNASMN1; SMN2CTSSCTSLCTSB

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-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ LMNA 1755/4885SMN1; SMN2 4034/4885CTSS 9/4885

“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.