SCHEMBL517211

SCHEMBL517211

O=S(=O)(Cl)c1ccc2nc(C(F)(F)F)cn2c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.49
PTGS2 P35354 16/20 0.39
PTGS1 P23219 8/20 0.39
MCHR1 Q99705 2/20 0.37
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL25247062 0.79 ALDH1A1 (0.38) ALDH1A1HSD17B10TDP1
SCHEMBL1908673 0.78 ALDH1A1 (0.41) PTGS2MCHR1ALDH1A1HSD17B10TDP1
SCHEMBL8812209 0.77 SCN5A (0.53) SCN5AALDH1A1HSD17B10
SCHEMBL2118968 0.77 SCN5A (0.53) SCN5APTGS2PTGS1MCHR1ALDH1A1
SCHEMBL12056714 0.75 SCN5A (0.54) SCN5APTGS2PTGS1MCHR1ALDH1A1
SCHEMBL516957 0.74 PIK3CG (0.55) SCN5AMCHR1ALDH1A1
SCHEMBL18080888 0.74 SCN5A (0.53) SCN5APTGS2PTGS1MCHR1ALDH1A1
SCHEMBL4487089 0.73 SCN5A (0.49) SCN5AMCHR1ALDH1A1
SCHEMBL16739619 0.72 KDM4E (0.50) SCN5AMCHR1ALDH1A1
SCHEMBL15829424 0.71 SCN5A (0.50) SCN5AMCHR1ALDH1A1

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 8 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-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
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 SCN5A 1988/4885PTGS2 1885/4885PTGS1 1385/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY SCN5A 1988/4885PTGS2 1885/4885PTGS1 1385/4885

“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.