SCHEMBL516919

SCHEMBL516919

CC(C)OC(=O)C1CCC(NS(=O)(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
LMNA P02545 3/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
PKM P14618 2/20 0.45
ALDH3A1 P30838 1/20 0.43
CCR8 P51685 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.40
BDKRB1 P46663 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL516920 1.00 MAPT (0.53) MAPTLMNAKMT2AMEN1L3MBTL1
SCHEMBL516636 0.81 VCAM1 (0.52) MAPTLMNAKMT2AMEN1PKM
SCHEMBL516635 0.81 VCAM1 (0.52) MAPTLMNAKMT2AMEN1PKM
SCHEMBL1908602 0.80 MAPT (0.47) MAPTLMNAKMT2AMEN1L3MBTL1
SCHEMBL516910 0.80 CNR1 (0.47) MAPTLMNAKMT2AMEN1L3MBTL1
SCHEMBL516909 0.80 CNR1 (0.47) MAPTLMNAKMT2AMEN1L3MBTL1
SCHEMBL516530 0.75 L3MBTL1 (0.55) MAPTLMNAKMT2AMEN1L3MBTL1
SCHEMBL517110 0.73 LMNA (0.50) MAPTLMNAKMT2AMEN1L3MBTL1
SCHEMBL517109 0.73 LMNA (0.50) MAPTLMNAKMT2AMEN1L3MBTL1
SCHEMBL1909847 0.73 IDH2 (0.51) MAPTLMNAKMT2AMEN1TDP1

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 MAPT 1271/4885LMNA 2697/4885KMT2A 2537/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY MAPT 1271/4885LMNA 2697/4885KMT2A 2537/4885

“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.