SCHEMBL516684

SCHEMBL516684

CC(C)(C)c1nnc(C2CCC(NS(=O)(=O)c3ccc(N)c(N)c3)CC2)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
PIK3CD O00329 5/20 0.40
PIK3CG P48736 5/20 0.40
PIK3CB P42338 4/20 0.40
PIK3C3 Q8NEB9 3/20 0.40
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MTOR P42345 1/20 0.37
PARG Q86W56 1/20 0.37
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL516685 1.00 CA1 (0.40) CA1CA2PIK3CDPIK3CGPIK3CB
SCHEMBL10269830 0.91 MAPK1 (0.41) CA1CA2PIK3CDPIK3CGPIK3CB
SCHEMBL517081 0.80 VCAM1 (0.46) KMT2AALDH1A1LMNAKDM4EHTT
SCHEMBL517082 0.80 VCAM1 (0.46) KMT2AALDH1A1LMNAKDM4EHTT
SCHEMBL15792673 0.79 BRD4 (0.38) CA1CA2PIK3CDPIK3CGPIK3CB
SCHEMBL15792674 0.79 BRD4 (0.38) CA1CA2PIK3CDPIK3CGPIK3CB
SCHEMBL15793149 0.76 GNRHR (0.48) KMT2AALDH1A1
SCHEMBL15793151 0.76 GNRHR (0.48) KMT2AALDH1A1
SCHEMBL15792920 0.75 MAP2K4 (0.39) CA1CA2KMT2ATDP1ALDH1A1
SCHEMBL15792966 0.75 NR1H2 (0.39) KMT2AALDH1A1HPGDKDM4E

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-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 CA1 1110/4885CA2 709/4885PIK3CD 1474/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY CA1 1110/4885CA2 709/4885PIK3CD 1474/4885

“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.