SCHEMBL3701013

SCHEMBL3701013

CN(C)C(=O)C(Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.66
CTSK P43235 7/20 0.66
CTSB P07858 3/20 0.57
CTSL P07711 1/20 0.57
BCL2 P10415 1/20 0.55
ACE P12821 2/20 0.55
MMP9 P14780 2/20 0.54
MMP8 P22894 2/20 0.54
MMP14 P50281 1/20 0.54
PTPN1 P18031 1/20 0.51
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
AKT1 P31749 1/20 0.50
ATM Q13315 1/20 0.50
MME P08473 1/20 0.50
ACE2 Q9BYF1 1/20 0.50

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
SCHEMBL3701014 1.00 CTSS (0.66) CTSSCTSKCTSBCTSLBCL2
SCHEMBL6162474 0.94 CTSS (0.64) CTSSCTSKCTSBCTSLACE
SCHEMBL1764798 0.94 CTSS (0.64) CTSSCTSKCTSBCTSLACE
SCHEMBL4609641 0.91 CTSS (0.55) CTSSCTSKCTSBCTSLBCL2
SCHEMBL14021756 0.91 CTSS (0.55) CTSSCTSKCTSBCTSLBCL2
SCHEMBL9929886 0.89 CTSS (0.62) CTSSCTSKCTSBCTSLBCL2
SCHEMBL8185213 0.89 CTSS (0.62) CTSSCTSKCTSBCTSLBCL2
SCHEMBL6162882 0.87 CTSS (0.63) CTSSCTSKCTSBCTSLBCL2
SCHEMBL6162894 0.87 CTSS (0.63) CTSSCTSKCTSBCTSLBCL2
SCHEMBL1325182 0.87 CTSS (0.72) CTSSCTSKCTSBCTSLBCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877815-B2 Substituted carbamoylcycloalkyl acetic acid derivatives as NEP NOVARTIS AG (CH) 2014-11-04 US disclosed
EP-2640689-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP INHIBITORS Novartis AG (CH) 2013-09-25 EP disclosed
WO-2012065953-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP INHIBITORS NOVARTIS AG (CH) 2012-05-24 WO disclosed
WO-2012065953-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP INHIBITORS NOVARTIS AG (CH) 2012-05-24 WO disclosed
US-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP NOVARTIS AG (CH) 2012-05-17 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-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP MME, REN, ECE1 CTSS 357/4885CTSK 252/4885CTSB 234/4885

“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.