SCHEMBL89282

SCHEMBL89282

COc1cc(CO)cc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
CYP17A1 P05093 1/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 3/20 0.41
MEN1 O00255 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
HTT P42858 1/20 0.39
LCK P06239 1/20 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
SCHEMBL6627242 0.88 CYP17A1 (0.47) CYP17A1TOP2ATOP2BLCKMAPK14
SCHEMBL15858093 0.88 CYP17A1 (0.47) CYP17A1TOP2ATOP2BLCKMAPK14
SCHEMBL4723839 0.86 KMT2A (0.54) KMT2APOLBL3MBTL1ALDH1A1GAA
SCHEMBL27387766 0.84 CYP17A1 (0.43) KMT2APOLBL3MBTL1CYP17A1ALDH1A1
SCHEMBL30300988 0.84 KMT2A (0.41) KMT2APOLBL3MBTL1CYP17A1ALDH1A1
SCHEMBL3930261 0.84 KMT2A (0.47) KMT2APOLBL3MBTL1CYP17A1ALDH1A1
SCHEMBL28951023 0.83 KMT2A (0.43) KMT2APOLBL3MBTL1CYP17A1ALDH1A1
SCHEMBL18411746 0.82 CYP17A1 (0.43) CYP17A1TOP2ATOP2BLCKMAPK14
SCHEMBL4752155 0.82 TOP2A (0.46) CYP17A1TOP2ATOP2BLCKMAPK14
SCHEMBL6296543 0.82 CYP17A1 (0.43) CYP17A1TOP2ATOP2BHTTLCK

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 10 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
EP-0930298-B1 FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2002-12-18 EP disclosed
US-6040449-A USEFUL FOR FORMING FLUORINE CONTAINING 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES, USEFUL AS ANTAGONIST FOR MUSCARINIC M3 RECEPTORS AND LESS SIDE EFFECT BANYU PHARMACEUTICAL CO LTD (JP) 2000-03-21 US disclosed
US-5948792-A POTENT AND SELECTIVE ANTAGONISTS FOR MUSCARINIC M.SUB.3 RECEPTORS WITH LITTLE SIDE EFFECTS. BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-07 US disclosed
EP-0930298-A1 FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-21 EP 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 KMT2A 3129/4885POLB 589/4885L3MBTL1 3031/4885

“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.