SCHEMBL1908602

SCHEMBL1908602

C[C@@H](NC(=O)[C@H]1CC[C@H](NS(=O)(=O)c2ccc(NCc3ccc(CO)cc3)c([N+](=O)[O-])c2)CC1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.41
RECQL P46063 1/20 0.40
ALDH3A1 P30838 1/20 0.40
PKM P14618 1/20 0.40
BDKRB1 P46663 1/20 0.39
MAPK1 P28482 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
SCHEMBL516909 0.92 CNR1 (0.47) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL516910 0.92 CNR1 (0.47) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL516949 0.83 ALDH1A1 (0.50) MEN1KMT2APOLBALDH1A1TP53
SCHEMBL516948 0.83 ALDH1A1 (0.50) MEN1KMT2APOLBALDH1A1TP53
SCHEMBL517554 0.82 ALDH1A1 (0.56) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL517555 0.82 ALDH1A1 (0.56) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL516920 0.80 MAPT (0.53) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL516919 0.80 MAPT (0.53) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL517107 0.78 ALDH3A1 (0.44) KMT2ALMNAPOLBALDH1A1TP53
SCHEMBL517108 0.78 ALDH3A1 (0.44) KMT2ALMNAPOLBALDH1A1TP53

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 3 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

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 MAPT 1271/4885MEN1 3950/4885KMT2A 2537/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY MAPT 1271/4885MEN1 3950/4885KMT2A 2537/4885

“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.