SCHEMBL517233

SCHEMBL517233

C[C@@H](NC(=O)[C@H]1CC[C@H](NS(=O)(=O)c2ccc(N)c(N)c2)CC1)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
ACACB O00763 2/20 0.46
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.40
PSMD14 O00487 1/20 0.40
MEN1 O00255 1/20 0.40
IDH2 P48735 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
SCHEMBL517232 1.00 CNR1 (0.46) CNR1ACACBTP53LMNAPOLB
SCHEMBL1951871 0.92 CNR1 (0.45) CNR1ACACBTP53LMNAPOLB
SCHEMBL12550830 0.91 CNR1 (0.44) CNR1ACACBTP53LMNAPOLB
SCHEMBL516935 0.91 CNR1 (0.43) CNR1ACACBTP53LMNAPOLB
SCHEMBL516936 0.91 CNR1 (0.43) CNR1ACACBTP53LMNAPOLB
SCHEMBL517186 0.90 POLB (0.54) CNR1ACACBTP53POLBKMT2A
SCHEMBL517185 0.90 POLB (0.54) CNR1ACACBTP53POLBKMT2A
SCHEMBL1908613 0.90 CNR1 (0.43) CNR1ACACBTP53LMNAPOLB
SCHEMBL12550473 0.90 ACACB (0.53) CNR1ACACBTP53POLBKMT2A
SCHEMBL12550808 0.89 ACACB (0.48) CNR1ACACBTP53LMNAPOLB

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 10 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-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-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
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 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 2/4885TP53 3890/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY CNR1 1187/4885ACACB 2/4885TP53 3890/4885

“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.