SCHEMBL12055136

SCHEMBL12055136

CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H](Sc2ccc3ccccc3c2)C[C@H]1C=O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.43
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRB2 P47870 1/20 0.37
ACACB O00763 1/20 0.35
VHL P40337 1/20 0.35
ELOC Q15369 1/20 0.35
ELOB Q15370 1/20 0.35

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
SCHEMBL8350958 0.86 ELANE (0.49) ELANE
SCHEMBL17578582 0.86 ELANE (0.49) ELANE
SCHEMBL8348956 0.86 ELANE (0.47) ELANEGABRB1GABRB2
SCHEMBL17578454 0.86 ELANE (0.47) ELANEGABRB1GABRB2
SCHEMBL12055242 0.75 CYP3A4 (0.55)
SCHEMBL17578617 0.75 CYP3A4 (0.55)
SCHEMBL12055118 0.73 ELANE (0.43) ELANE
SCHEMBL1536467 0.71 ELANE (0.45) ELANECTSSCTSKVHLELOC
SCHEMBL8349766 0.71 ELANE (0.47) ELANE
SCHEMBL12054740 0.71 ELANE (0.45) ELANECTSSCTSKVHLELOC

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
US-8299094-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-30 US disclosed
US-20110311482-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-22 US disclosed
US-7449479-B2 Serine protease inhibition via 1-{[1-(2-Methoxycarbonylamino-3,3-dimethyl-butyryl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-11 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-20110311482-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 ELANE 2012/4885CTSB 124/4885CTSS 893/4885

“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.