SCHEMBL89576

SCHEMBL89576

CCOCC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.49
CTSS P25774 4/20 0.49
GABRB1 P18505 1/20 0.44
GABRB2 P47870 1/20 0.44
MAPT P10636 1/20 0.44
PPARA Q07869 2/20 0.44
ATM Q13315 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RIPK1 Q13546 1/20 0.43
PPARG P37231 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL90723 1.00 CTSK (0.49) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL89597 0.86 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL7757120 0.86 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL90359 0.86 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL4961187 0.86 CTSK (0.56) CTSKCTSSMAPTATMALDH1A1
SCHEMBL29922259 0.85 CTSK (0.48) CTSKCTSSMAPTPPARAATM
SCHEMBL29922330 0.85 CTSK (0.48) CTSKCTSSMAPTPPARAATM
SCHEMBL4583120 0.83 CTSK (0.53) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL56596 0.83 CTSK (0.53) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL28464584 0.83 CTSK (0.53) CTSKCTSSGABRB1GABRB2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 CTSK 863/4885CTSS 301/4885GABRB1 1609/4885

“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.