SCHEMBL1025444

SCHEMBL1025444

O=C(O)Nc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.67
SENP8 Q96LD8 1/20 0.67
SENP7 Q9BQF6 1/20 0.67
SENP6 Q9GZR1 1/20 0.67
ALDH1A1 P00352 4/20 0.61
PGR P06401 1/20 0.59
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
MMP1 P03956 1/20 0.58
MMP2 P08253 1/20 0.58
MMP9 P14780 1/20 0.58
MMP8 P22894 1/20 0.58
MMP13 P45452 1/20 0.58
KMT2A Q03164 5/20 0.57
PKM P14618 1/20 0.57
DDX3X O00571 2/20 0.56
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 1/20 0.54

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
SCHEMBL1025441 1.00 CASP3 (0.67) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL4101284 0.85 PGR (0.78) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL8366106 0.85 CASP3 (0.81) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL15043011 0.83 ALDH1A1 (0.66) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL13623011 0.83 ALOX5 (0.67) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL30927031 0.82 CASP3 (0.89) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL27179429 0.82 CASP3 (0.89) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL893934 0.82 CA2 (0.71) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL1028583 0.82 CYP19A1 (0.73) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL1028585 0.82 CYP19A1 (0.73) CASP3SENP8SENP7SENP6ALDH1A1

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-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK CASP3 1194/4885SENP8 2900/4885SENP7 2910/4885

“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.