SCHEMBL12098331

SCHEMBL12098331

COC(=O)N[C@H]1CCC(=O)N2CCC[C@@H](C(=O)OC(C)(C)C)N2C1=O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.44
ACE P12821 2/20 0.44
CASP1 P29466 8/20 0.43
LCK P06239 10/20 0.41
CASP3 P42574 2/20 0.41
CASP8 Q14790 2/20 0.41
IL1B P01584 2/20 0.39

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
SCHEMBL12098327 1.00 MME (0.44) MMEACECASP1LCKCASP3
SCHEMBL1410178 0.90 LCK (0.45) MMEACECASP1LCKCASP3
SCHEMBL1410179 0.90 LCK (0.45) MMEACECASP1LCKCASP3
SCHEMBL12098389 0.85 ACE (0.58) MMEACECASP1LCKIL1B
SCHEMBL1409780 0.84 CASP1 (0.64) MMEACECASP1LCKCASP3
SCHEMBL3069962 0.84 CASP1 (0.64) MMEACECASP1LCKCASP3
SCHEMBL1409073 0.84 ACE (0.39) MMEACECASP1LCKCASP3
SCHEMBL1409076 0.84 ACE (0.39) MMEACECASP1LCKCASP3
SCHEMBL2219237 0.84 CASP1 (0.59) MMEACECASP1LCKCASP3
SCHEMBL1409094 0.84 CASP1 (0.59) MMEACECASP1LCKCASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791161-B1 INHIBITORS OF HCV NS5A HOFFMANN LA ROCHE (CH) 2016-02-10 EP disclosed
US-9180193-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2015-11-10 US disclosed
US-9133170-B2 Inhibitors of HCV NS5A HOFFMANN-LA ROCHE INC. (US) 2015-09-15 US disclosed
US-20150166514-A1 INHIBITORS OF HCV NS5A HOFFMANN-LA ROCHE INC. (US) 2015-06-18 US disclosed
US-20140255344-A1 Antiviral Compounds Hiffmann-La Roche Inc. (US) 2014-09-11 US disclosed
US-20120328565-A1 ANTIVIRAL COMPOUNDS BRINKMAN JOHN A (US) 2012-12-27 US disclosed
US-20120230951-A1 ANTIVIRAL COMPOUNDS ALAM MUZAFFAR (US) 2012-09-13 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 (4 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-20120328565-A1 ANTIVIRAL COMPOUNDS EIF2AK2, HAVCR2, MAVS MME 1409/4885ACE 104/4885CASP1 1834/4885
US-20120230951-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS MME 503/4885ACE 79/4885CASP1 2582/4885
US-20140255344-A1 Antiviral Compounds EIF2AK2, HAVCR2, MAVS MME 640/4885ACE 80/4885CASP1 2146/4885
US-20150166514-A1 INHIBITORS OF HCV NS5A HAVCR2, EIF2AK2, MAVS MME 729/4885ACE 1102/4885CASP1 4471/4885

“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.