SCHEMBL3570536

SCHEMBL3570536

NS(=O)(=O)c1ccc(C(=O)N2CCC(F)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 20/20 0.78
CA1 P00915 20/20 0.78
CA2 P00918 20/20 0.78
CA9 Q16790 20/20 0.78
CA7 P43166 19/20 0.78
CA14 Q9ULX7 17/20 0.78

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
SCHEMBL14493373 0.88 CA12 (0.87) CA12CA1CA2CA9CA7
SCHEMBL31650449 0.84 CA12 (0.71) CA12CA1CA2CA9CA7
SCHEMBL31267062 0.81 MGLL (0.61) CA12CA1CA2CA9CA7
SCHEMBL27531642 0.81 CA1 (0.71) CA12CA1CA2CA9CA7
SCHEMBL21485402 0.79 CA2 (0.61) CA12CA1CA2CA9CA7
Ethylene SCHEMBL8376508 0.78 CA1 (0.68) CA12CA1CA2CA9CA7
SCHEMBL2957586 0.78 CA12 (0.61) CA12CA1CA2CA9CA7
SCHEMBL10983933 0.78 ACHE (0.71) CA12CA1CA2CA9CA7
SCHEMBL1136719 0.77 L3MBTL3 (0.59) CA12CA1CA2CA9CA7
Hydrochloric Acid SCHEMBL1136918 0.75 L3MBTL3 (0.58) CA12CA1CA2CA9CA7

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118076-B1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO SA (CH) 2019-09-04 EP disclosed
EP-2118076-B1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO SA (CH) 2019-09-04 EP disclosed
US-8614215-B2 Quinoxaline inhibitors of phosphoinositide-3-kinases (PI3Ks) MERCK SERONO SA (CH) 2013-12-24 US disclosed
US-20100137308-A1 Quinoxaline Compounds and Use Thereof MERCK SERONO SA (CH) 2010-06-03 US disclosed
US-20100137308-A1 Quinoxaline Compounds and Use Thereof MERCK SERONO SA (CH) 2010-06-03 US disclosed
US-20100137308-A1 Quinoxaline Compounds and Use Thereof MERCK SERONO SA (CH) 2010-06-03 US disclosed
EP-2118076-A1 QUINOXALINE COMPOUNDS AND USE THEREOF Merck Serono S.A. (CH) 2009-11-18 EP disclosed
WO-2008101979-A1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO S.A. (CH) 2008-08-28 WO disclosed
WO-2008101979-A1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO S.A. (CH) 2008-08-28 WO 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 (1 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-20100137308-A1 Quinoxaline Compounds and Use Thereof PFKP, PDXK, PF4 CA12 4263/4885CA1 4483/4885CA2 4227/4885

“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.