SCHEMBL1908634

SCHEMBL1908634

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
POLB P06746 2/20 0.40
ACACB O00763 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
KIT P10721 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL1908613 0.88 CNR1 (0.43) CNR1POLBACACBALDH1A1KMT2A
SCHEMBL12550472 0.88 CNR1 (0.43) CNR1POLBACACBALDH1A1TDP1
SCHEMBL517131 0.87 ALDH1A1 (0.47) CNR1POLBACACBALDH1A1SMN1; SMN2
SCHEMBL517132 0.87 ALDH1A1 (0.47) CNR1POLBACACBALDH1A1SMN1; SMN2
SCHEMBL517107 0.86 ALDH3A1 (0.44) CNR1POLBACACBALDH1A1KMT2A
SCHEMBL517108 0.86 ALDH3A1 (0.44) CNR1POLBACACBALDH1A1KMT2A
SCHEMBL12550914 0.85 ACACB (0.44) CNR1ACACBALDH1A1SMN1; SMN2LMNA
SCHEMBL10271384 0.84 IDH2 (0.50) CNR1POLBALDH1A1KMT2AMEN1
SCHEMBL1953269 0.83 ALDH1A1 (0.47) CNR1POLBACACBALDH1A1KMT2A
SCHEMBL12577584 0.83 ALDH1A1 (0.45) CNR1POLBACACBALDH1A1KMT2A

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 4 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-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 1187/4885POLB 1792/4885ACACB 2/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY CNR1 1187/4885POLB 1792/4885ACACB 2/4885

“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.