SCHEMBL516906

SCHEMBL516906

CC(C)N(C)C(=O)[C@H]1CC[C@H](NS(=O)(=O)c2ccc3[nH]c(Nc4ccccc4)nc3c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 13/20 0.45
PARG Q86W56 2/20 0.39
ITGB3 P05106 2/20 0.39
ITGAV P06756 2/20 0.39
ALDH1A1 P00352 1/20 0.38
AKR1C3 P42330 1/20 0.38
BRAF P15056 1/20 0.36

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
SCHEMBL516905 1.00 IDH2 (0.45) IDH2PARGITGB3ITGAVALDH1A1
SCHEMBL15793342 0.90 IDH2 (0.45) IDH2PARGITGB3ITGAVALDH1A1
SCHEMBL15793341 0.90 IDH2 (0.45) IDH2PARGITGB3ITGAVALDH1A1
SCHEMBL15792783 0.86 IDH2 (0.45) IDH2PARGITGB3ITGAVALDH1A1
SCHEMBL15792786 0.86 IDH2 (0.45) IDH2PARGITGB3ITGAVALDH1A1
SCHEMBL15792760 0.85 POLB (0.45) IDH2PARGITGB3ITGAVALDH1A1
SCHEMBL15792762 0.85 POLB (0.45) IDH2PARGITGB3ITGAVALDH1A1
SCHEMBL15792389 0.80 FASN (0.44) PARGALDH1A1
SCHEMBL15792391 0.80 FASN (0.44) PARGALDH1A1
SCHEMBL15792683 0.79 MEN1 (0.44) IDH2ITGB3ITGAVALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 US disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 US disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 US disclosed
US-8697739-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2014-04-15 US disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 US disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 US disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 US disclosed
WO-2012013716-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2012-02-02 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 (2 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-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY IDH2 161/4885PARG 3356/4885ITGB3 3868/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY IDH2 161/4885PARG 3356/4885ITGB3 3868/4885

“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.