SCHEMBL2473675

SCHEMBL2473675

CC(C)(C)OC(=O)NS(=O)(=O)NCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.66
CA14 Q9ULX7 2/20 0.66
CA1 P00915 1/20 0.66
CA7 P43166 1/20 0.66
ALOX5 P09917 1/20 0.55
CYP2C19 P33261 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP19A1 P11511 3/20 0.50
MAPT P10636 4/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
RECQL P46063 1/20 0.47
CA2 P00918 1/20 0.46
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45
ALDH1A1 P00352 2/20 0.45

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
SCHEMBL14797617 0.86 CA12 (0.68) CA12CA14CA1CA7ALOX5
SCHEMBL1019102 0.83 MAPT (0.55) ALOX5CYP2C19MAPTNPC1RAB9A
SCHEMBL12710128 0.82 CA12 (0.74) CA12CA14CA1CA7ALOX5
SCHEMBL27477064 0.81 ALOX5 (0.59) ALOX5CYP2C19CYP1A2CYP3A4MAPT
SCHEMBL6337412 0.80 CA12 (1.00) CA12CA14CA1CA7MAPT
SCHEMBL14797597 0.80 CA12 (0.51) CA12CA14CA1CA7ALOX5
SCHEMBL28685894 0.80 ALOX5 (0.53) CA12CA14CA1CA7ALOX5
SCHEMBL8163779 0.78 MAPT (0.50) ALOX5CYP2C19MAPTNPC1RAB9A
SCHEMBL13622999 0.78 CYP19A1 (0.64) CA1ALOX5CYP2C19CYP1A2CYP3A4
SCHEMBL13623192 0.77 MEN1 (0.50) ALOX5MAPTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2370415-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2016-04-20 EP disclosed
EP-2370415-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2016-04-20 EP disclosed
US-8420659-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2013-04-16 US disclosed
US-8420659-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2013-04-16 US disclosed
US-20120301486-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY Riger Pharmaceuticals, Inc. 2012-11-29 US disclosed
US-20120301486-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY Riger Pharmaceuticals, Inc. 2012-11-29 US disclosed
US-8268851-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-8268851-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-8268851-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
EP-2370415-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY Rigel Pharmaceuticals, Inc. (US) 2011-10-05 EP disclosed
WO-2010075558-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-07-01 WO disclosed
WO-2010075558-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-07-01 WO disclosed
US-20100158921-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-06-24 US disclosed
US-20100158921-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-06-24 US disclosed
US-20100158921-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-06-24 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-20100158921-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CA12 4660/4885CA14 4691/4885CA1 4805/4885
US-20120301486-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CA12 4660/4885CA14 4691/4885CA1 4805/4885

“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.