SCHEMBL88958

SCHEMBL88958

COC(=O)[C@@H]1C[C@H](C(=O)NC(CO)Cc2ccccc2)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
STS P08842 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.41
ATM Q13315 2/20 0.41
YAP1 P46937 2/20 0.41
PDE4B Q07343 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
GPR119 Q8TDV5 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
SCHEMBL89313 0.92 MAPK1 (0.46) MAPK1STSKMT2AMEN1ALDH1A1
SCHEMBL88882 0.82 NR1H2 (0.41) MAPK1KMT2AMEN1ALDH1A1PDE4B
SCHEMBL89157 0.82 CCR5 (0.43) STSATMPDE4B
SCHEMBL90229 0.81 RECQL (0.51) ALDH1A1ATM
SCHEMBL89314 0.78 NR1H2 (0.40) MAPK1KMT2AMEN1ALDH1A1PDE4B
SCHEMBL23120525 0.77 STS (0.49) STSALDH1A1PDE4BJAK2JAK1
SCHEMBL89937 0.77 RORC (0.43) STSPDE4BGPR119
SCHEMBL21640759 0.76 NR1H2 (0.49) STSKMT2AMEN1ALDH1A1PDE4B
SCHEMBL23120587 0.76 NAMPT (0.47) STSPDE4BJAK2JAK1GPR119
SCHEMBL25072143 0.76 ABCB1 (0.45) STSYAP1PDE4BJAK2JAK1

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 MAPK1 3191/4885STS 2660/4885KMT2A 3129/4885

“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.