SCHEMBL517386

SCHEMBL517386

Cc1ccccc1-c1cc2ccc(S(N)(=O)=O)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.52
CA2 P00918 7/20 0.52
CA12 O43570 5/20 0.52
CA9 Q16790 5/20 0.52
CYP19A1 P11511 1/20 0.50
LMNA P02545 2/20 0.45
FFAR1 O14842 1/20 0.43
SCD O00767 1/20 0.42
MAPT P10636 2/20 0.41
POLB P06746 2/20 0.40
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
HTT P42858 1/20 0.40
CA5A P35218 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 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
SCHEMBL19065049 0.80 CA1 (0.70) CA1CA2CA12CA9CYP19A1
SCHEMBL20482075 0.78 CYP19A1 (0.49) CYP19A1LMNAFFAR1MAPTPOLB
SCHEMBL29941586 0.75 RAB9A (0.62) CYP19A1LMNAFFAR1MAPTPOLB
SCHEMBL4890695 0.75 RAB9A (0.62) CYP19A1LMNAFFAR1MAPTPOLB
SCHEMBL4073850 0.74 CA1 (0.66) CA1CA2CA12CA9LMNA
SCHEMBL21657836 0.73 CASP3 (0.67) CYP19A1LMNAFFAR1MAPTPOLB
SCHEMBL21657868 0.73 CYP19A1 (0.45) CYP19A1LMNAFFAR1MAPTPOLB
SCHEMBL21657925 0.73 CASP3 (0.51) CYP19A1LMNAFFAR1MAPTPOLB
SCHEMBL23752250 0.72 PRSS1 (0.58)
SCHEMBL8306288 0.71 PRKDC (0.55) CA1CA2CA12CA9CYP19A1

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 709/4885CA12 1015/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY CA1 1110/4885CA2 709/4885CA12 1015/4885

“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.