SCHEMBL3701145

SCHEMBL3701145

Cc1cccc(-c2ccc(C[C@@H](C#N)NC(=O)OC(C)(C)C)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.56
CTSS P25774 12/20 0.56
CTSB P07858 5/20 0.56
CTSL P07711 5/20 0.48
CTSC P53634 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CTSH P09668 1/20 0.48
CYP2D6 P10635 1/20 0.48
MME P08473 1/20 0.46
PTPN1 P18031 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL3701144 1.00 CTSK (0.56) CTSKCTSSCTSBCTSLCTSC
SCHEMBL2074657 0.88 CTSC (0.57) CTSKCTSSCTSBCTSLCTSC
SCHEMBL2074655 0.88 CTSC (0.57) CTSKCTSSCTSBCTSLCTSC
SCHEMBL21013700 0.85 CTSK (0.52) CTSKCTSSCTSBCTSLCTSC
SCHEMBL3704551 0.83 ACE (0.60) CTSKCTSSCTSBCTSLMME
SCHEMBL3704550 0.83 ACE (0.60) CTSKCTSSCTSBCTSLMME
SCHEMBL20162060 0.83 CTSC (0.56) CTSKCTSSCTSC
SCHEMBL30195065 0.83 CTSC (0.56) CTSKCTSSCTSC
SCHEMBL2329795 0.81 CTSS (0.65) CTSKCTSSCTSBCTSLCTSC
SCHEMBL2329798 0.81 CTSS (0.65) CTSKCTSSCTSBCTSLCTSC

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 8 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
US-8877815-B2 Substituted carbamoylcycloalkyl acetic acid derivatives as NEP NOVARTIS AG (CH) 2014-11-04 US disclosed
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
US-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP NOVARTIS AG (CH) 2012-05-17 US disclosed
US-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP NOVARTIS AG (CH) 2012-05-17 US 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 CTSK 252/4885CTSS 357/4885CTSB 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.