SCHEMBL1390671

SCHEMBL1390671

O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccon2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.53
EDNRA P25101 2/20 0.53
CA2 P00918 4/20 0.53
CA12 O43570 2/20 0.53
CA9 Q16790 2/20 0.53
CA1 P00915 3/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA13 Q8N1Q1 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
CYTH2 Q99418 1/20 0.47

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
SCHEMBL23440267 0.80 KDM4E (0.51) EDNRBEDNRACA2CA12CA9
SCHEMBL7093262 0.80 MAPT (0.59) EDNRBEDNRAKMT2AMEN1LMNA
SCHEMBL3477694 0.79 BRD4 (0.52) EDNRBEDNRAKMT2AMEN1MAPK1
SCHEMBL7243110 0.77 MAPK1 (0.61) EDNRBEDNRAKMT2AMEN1MAPT
SCHEMBL5942928 0.77 ALDH1A1 (0.68) EDNRBEDNRACYTH2KMT2AMEN1
SCHEMBL29812047 0.75 SCN9A (0.52) ALDH1A1
SCHEMBL23144919 0.75 SCN9A (0.52) ALDH1A1
SCHEMBL5564296 0.75 CA12 (0.54) CA12CA9KMT2AMEN1LMNA
SCHEMBL7498033 0.73 CA2 (0.83) CA2CA12CA9CA1MMP1
SCHEMBL2180207 0.73 CA2 (0.53) EDNRBEDNRACA2CA12CA9

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-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed
US-20060178400-A1 Novel acetyl-CoA carboxylase (ACC) inhibitors and their use in diabetes, obesity and metabolic syndrome ABBOTT LABORATORIES 2006-08-10 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB EDNRB 1113/4885EDNRA 802/4885CA2 1092/4885
US-20060178400-A1 Novel acetyl-CoA carboxylase (ACC) inhibitors and their use in diabetes, obesity and metabolic syndrome ACACA, ACACB, ACAT1 EDNRB 1821/4885EDNRA 1888/4885CA2 1535/4885

“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.