SCHEMBL516883

SCHEMBL516883

COC(=O)C1CCC(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 7/20 0.53
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.49
ALOX15 P16050 1/20 0.49
THRB P10828 1/20 0.48
SLC25A1 P53007 1/20 0.46
LMNA P02545 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MAPT P10636 2/20 0.43
DNMT1 P26358 1/20 0.43
DNMT3A Q9Y6K1 1/20 0.43

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
SCHEMBL516882 1.00 VCAM1 (0.53) VCAM1MAPK1SMN1; SMN2TP53PKM
SCHEMBL16622553 0.91 MAPK1 (0.50) VCAM1MAPK1SMN1; SMN2TP53PKM
SCHEMBL516636 0.89 VCAM1 (0.52) VCAM1MAPK1SMN1; SMN2TP53PKM
SCHEMBL516635 0.89 VCAM1 (0.52) VCAM1MAPK1SMN1; SMN2TP53PKM
SCHEMBL1952068 0.88 ALDH1A1 (0.51) MAPK1SMN1; SMN2PKMALDH1A1CTDSP1
SCHEMBL1952064 0.88 ALDH1A1 (0.51) MAPK1SMN1; SMN2PKMALDH1A1CTDSP1
SCHEMBL12549754 0.87 ALDH1A1 (0.56) VCAM1MAPK1SMN1; SMN2THRBSLC25A1
SCHEMBL1909847 0.83 IDH2 (0.51) LMNAALDH1A1CTDSP1TDP1MAPT
SCHEMBL1954335 0.83 SMN1; SMN2 (0.53) MAPK1SMN1; SMN2TP53PKMALOX15
SCHEMBL1952069 0.83 SMN1; SMN2 (0.53) MAPK1SMN1; SMN2TP53PKMALOX15

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 12 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
EP-2598486-B1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2017-06-28 EP disclosed
EP-2507210-B1 CYCLOHEXANE DERIVATIVES AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) NOVARTIS AG (CH) 2015-04-08 EP 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
EP-2598486-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS Novartis AG (CH) 2013-06-05 EP disclosed
US-8394858-B2 Cyclohexane derivatives and uses thereof NOVARTIS AG (CH) 2013-03-12 US disclosed
EP-2507210-A1 CYCLOHEXANE DERIVATIVES AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) Novartis AG (CH) 2012-10-10 EP 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
US-20110136735-A1 CYCLOHEXANE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2011-06-09 US disclosed
WO-2011067306-A1 CYCLOHEXANE DERIVATIVES AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) NOVARTIS AG (CH) 2011-06-09 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 (3 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 VCAM1 4210/4885MAPK1 3157/4885SMN1; SMN2 4695/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY VCAM1 4210/4885MAPK1 3157/4885SMN1; SMN2 4695/4885
US-20110136735-A1 CYCLOHEXANE DERIVATIVES AND USES THEREOF CYP3A5, CYP11B2, CNR2 VCAM1 3459/4885MAPK1 2955/4885SMN1; SMN2 2729/4885

“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.