SCHEMBL516530

SCHEMBL516530

CC(C)C1(NS(=O)(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CCC(C(=O)O)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
MAPT P10636 4/20 0.54
LMNA P02545 4/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
PKM P14618 3/20 0.46
ALDH3A1 P30838 1/20 0.42
MAPK1 P28482 1/20 0.41
BDKRB1 P46663 3/20 0.41
VCAM1 P19320 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
APP P05067 1/20 0.40
ALOX15 P16050 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
SCHEMBL516920 0.75 MAPT (0.53) L3MBTL1MAPTLMNAKMT2AMEN1
SCHEMBL516919 0.75 MAPT (0.53) L3MBTL1MAPTLMNAKMT2AMEN1
SCHEMBL5951699 0.72 KMT2A (0.71) L3MBTL1MAPTLMNAKMT2AMEN1
SCHEMBL15709010 0.71 L3MBTL1 (1.00) L3MBTL1MAPTLMNAKMT2AMEN1
SCHEMBL15709011 0.71 L3MBTL1 (1.00) L3MBTL1MAPTLMNAKMT2AMEN1
SCHEMBL1911607 0.70 MAPT (0.71) L3MBTL1MAPTLMNAKMT2AMEN1
SCHEMBL17825062 0.70 LMNA (0.53) L3MBTL1MAPTLMNAKMT2AMEN1
SCHEMBL1908602 0.69 MAPT (0.47) L3MBTL1MAPTLMNAKMT2AMEN1
SCHEMBL516909 0.68 CNR1 (0.47) L3MBTL1MAPTLMNAKMT2AMEN1
SCHEMBL516910 0.68 CNR1 (0.47) L3MBTL1MAPTLMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY L3MBTL1 4449/4885MAPT 1271/4885LMNA 2697/4885

“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.