SCHEMBL4906451

SCHEMBL4906451

CC(C)NS(=O)(=O)c1ccc2c(c1)C(=NNc1ccccc1C(=O)NCc1cccnc1)C(=O)N2

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.54
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 5/20 0.51
KDM4E B2RXH2 3/20 0.51
MEN1 O00255 3/20 0.51
NAMPT P43490 2/20 0.47
PKM P14618 1/20 0.45
POLB P06746 2/20 0.43
ALOX15 P16050 1/20 0.42
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4906448 1.00 PTPN11 (0.54) PTPN11ALDH1A1KMT2AKDM4EMEN1
SCHEMBL4906517 0.91 KDM4E (0.43) PTPN11ALDH1A1KMT2AKDM4EMEN1
SCHEMBL4906515 0.91 KDM4E (0.43) PTPN11ALDH1A1KMT2AKDM4EMEN1
SCHEMBL4896236 0.87 PTPN11 (0.53) PTPN11ALDH1A1KMT2AMEN1NAMPT
SCHEMBL4896246 0.87 PTPN11 (0.53) PTPN11ALDH1A1KMT2AMEN1NAMPT
SCHEMBL4908777 0.85 CDK2 (0.39) PTPN11ALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL4908785 0.85 CDK2 (0.39) PTPN11ALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL4903841 0.84 CDK2 (0.40) PTPN11ALDH1A1KMT2APOLB
SCHEMBL4903838 0.84 CDK2 (0.40) PTPN11ALDH1A1KMT2APOLB
SCHEMBL14111974 0.83 PTPN11 (0.52) PTPN11ALDH1A1KMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987474-B2 Inhibition of Shp2/PTPN11 protein tyrosine phosphatase by NSC-87877, NSC-117199 and their analogs UNIVERSITY OF SOUTH FLORIDA (US) 2015-03-24 US disclosed
US-20080176309-A1 8-hydroxy-7-(6-sulfonaphthalen-2-yl)diazenyl-quinoline-5-sulfonic acid (NSC-87877); Src homology-2 domains; Noonan syndrome, cancer UNIVERSITY OF SOUTH FLORIDA (US) 2008-07-24 US disclosed
WO-2007117699-A2 INHIBITION OF SHP2/PTPN11 PROTEIN TYROSINE PHOSPHATASE BY NSC-87877, NSC-117199 AND THEIR ANALOGS UNIVERSITY OF SOUTH FLORIDA (US) 2007-10-18 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-20080176309-A1 8-hydroxy-7-(6-sulfonaphthalen-2-yl)diazenyl-quinoline-5-sulfonic acid (NSC-87877); Src homology-2 domains; Noonan syndrome, cancer PTPN7, PTPN1, PTPN2 PTPN11 16/4885ALDH1A1 3859/4885KMT2A 2220/4885

“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.