SCHEMBL516636

SCHEMBL516636

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 9/20 0.52
THRB P10828 1/20 0.45
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
SLC25A1 P53007 1/20 0.43
LMNA P02545 2/20 0.42
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL516635 1.00 VCAM1 (0.52) VCAM1THRBMAPK1SMN1; SMN2TP53
SCHEMBL516883 0.89 VCAM1 (0.53) VCAM1THRBMAPK1SMN1; SMN2TP53
SCHEMBL516882 0.89 VCAM1 (0.53) VCAM1THRBMAPK1SMN1; SMN2TP53
SCHEMBL12549754 0.84 ALDH1A1 (0.56) VCAM1THRBMAPK1SMN1; SMN2SLC25A1
SCHEMBL16622553 0.81 MAPK1 (0.50) VCAM1MAPK1SMN1; SMN2TP53PKM
SCHEMBL516920 0.81 MAPT (0.53) MAPK1SMN1; SMN2PKMALOX15LMNA
SCHEMBL516919 0.81 MAPT (0.53) MAPK1SMN1; SMN2PKMALOX15LMNA
SCHEMBL517554 0.80 ALDH1A1 (0.56) VCAM1SMN1; SMN2TP53PKMSLC25A1
SCHEMBL517555 0.80 ALDH1A1 (0.56) VCAM1SMN1; SMN2TP53PKMSLC25A1
SCHEMBL3036711 0.79 VCAM1 (0.61) VCAM1MAPK1SMN1; SMN2TP53PKM

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-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-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-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 VCAM1 4210/4885THRB 3231/4885MAPK1 3157/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY VCAM1 4210/4885THRB 3231/4885MAPK1 3157/4885

“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.