SCHEMBL89258

SCHEMBL89258

CCOCC(C)(C)NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA7 P43166 2/20 0.38
CA12 O43570 2/20 0.38
CA14 Q9ULX7 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
CA2 P00918 2/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 1/20 0.35
AKT1 P31749 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
CTSK P43235 5/20 0.34
CTSS P25774 2/20 0.34
APLNR P35414 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PTPRB P23467 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL16774891 0.82 CTSK (0.38) CA1CA7CA12CA14TDP1
SCHEMBL22405497 0.81 TDP1 (0.42) CA1CA7CA12CA14TDP1
SCHEMBL6318008 0.81 KMT2A (0.37) CA1CA7CA12CA14TDP1
SCHEMBL22123749 0.80 TDP1 (0.34) CA1CA7CA12CA14TDP1
SCHEMBL15243945 0.80 CNR2 (0.38) CA1CA7CA12CA14TDP1
SCHEMBL7923566 0.80 CA2 (0.42) CA1CA7CA12CA14TDP1
SCHEMBL4616898 0.79 CA1 (0.42) CA1CA7CA12CA14TDP1
SCHEMBL21738917 0.79 CTSK (0.35) CA1CA7CA12CA14TDP1
SCHEMBL12974868 0.79 SMN1; SMN2 (0.38) CA1CA7CA12CA14TDP1
SCHEMBL2878680 0.79 TDP1 (0.47) CA1CA7CA12CA14TDP1

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 CA1 2037/4885CA7 1717/4885CA12 2906/4885

“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.