SCHEMBL516936

SCHEMBL516936

CNc1ccc(S(=O)(=O)N[C@H]2CC[C@H](C(=O)N[C@H](C)c3ccc(F)cc3)CC2)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
ACACB O00763 2/20 0.42
CHEK1 O14757 1/20 0.41
NTRK1 P04629 1/20 0.41
MET P08581 1/20 0.41
PIM1 P11309 1/20 0.41
LTK P29376 1/20 0.41
GRK5 P34947 1/20 0.41
MAP2K2 P36507 1/20 0.41
CDK8 P49336 1/20 0.41
NEK2 P51955 1/20 0.41
LIMK1 P53667 1/20 0.41
TYRO3 Q06418 1/20 0.41
MAP4K2 Q12851 1/20 0.41
DYRK1A Q13627 1/20 0.41
AURKB Q96GD4 1/20 0.41
POLB P06746 2/20 0.41
IDH2 P48735 1/20 0.40
TP53 P04637 2/20 0.39
LMNA P02545 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
SCHEMBL516935 1.00 CNR1 (0.43) CNR1ACACBCHEK1NTRK1MET
SCHEMBL517232 0.91 CNR1 (0.46) CNR1ACACBPOLBIDH2TP53
SCHEMBL517233 0.91 CNR1 (0.46) CNR1ACACBPOLBIDH2TP53
SCHEMBL1951871 0.89 CNR1 (0.45) CNR1ACACBPOLBTP53LMNA
SCHEMBL517107 0.86 ALDH3A1 (0.44) CNR1ACACBPOLBIDH2TP53
SCHEMBL517108 0.86 ALDH3A1 (0.44) CNR1ACACBPOLBIDH2TP53
SCHEMBL1908613 0.86 CNR1 (0.43) CNR1ACACBPOLBTP53LMNA
SCHEMBL12550473 0.86 ACACB (0.53) CNR1ACACBPOLBTP53KMT2A
SCHEMBL12550830 0.86 CNR1 (0.44) CNR1ACACBPOLBTP53LMNA
SCHEMBL12550522 0.85 CNR1 (0.48) CNR1ACACBPOLBIDH2KMT2A

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-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
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 (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 CNR1 1187/4885ACACB 2/4885CHEK1 2924/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY CNR1 1187/4885ACACB 2/4885CHEK1 2924/4885

“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.