SCHEMBL517131

SCHEMBL517131

C[C@@H](NC(=O)C1CCC(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
VCAM1 P19320 4/20 0.43
CNR1 P21554 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ACACB O00763 1/20 0.41
EPHX2 P34913 1/20 0.41
TP53 P04637 2/20 0.40
POLB P06746 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
SCHEMBL517132 1.00 ALDH1A1 (0.47) ALDH1A1VCAM1CNR1SMN1; SMN2GAA
SCHEMBL517554 0.91 ALDH1A1 (0.56) ALDH1A1VCAM1SMN1; SMN2MAPTLMNA
SCHEMBL517555 0.91 ALDH1A1 (0.56) ALDH1A1VCAM1SMN1; SMN2MAPTLMNA
SCHEMBL12550472 0.90 CNR1 (0.43) ALDH1A1CNR1ACACBPOLB
SCHEMBL12577584 0.90 ALDH1A1 (0.45) ALDH1A1CNR1SMN1; SMN2GAAHPGD
SCHEMBL12550437 0.89 SMN1; SMN2 (0.46) ALDH1A1CNR1SMN1; SMN2GAAHPGD
SCHEMBL12550357 0.89 ALDH1A1 (0.44) ALDH1A1CNR1SMN1; SMN2GAAHPGD
SCHEMBL517108 0.89 ALDH3A1 (0.44) ALDH1A1CNR1SMN1; SMN2GAAHPGD
SCHEMBL517107 0.89 ALDH3A1 (0.44) ALDH1A1CNR1SMN1; SMN2GAAHPGD
SCHEMBL1908634 0.87 CNR1 (0.41) ALDH1A1CNR1SMN1; SMN2GAAHPGD

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 5 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
EP-2598486-B1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2017-06-28 EP 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 ALDH1A1 215/4885VCAM1 4210/4885CNR1 1187/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY ALDH1A1 215/4885VCAM1 4210/4885CNR1 1187/4885

“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.