SCHEMBL4896245

SCHEMBL4896245

CC(C)NS(=O)(=O)c1ccc2c(c1)/C(=N/Nc1cccc(C(N)=O)c1)C(=O)N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.45
KDR P35968 2/20 0.40
CDK2 P24941 1/20 0.40
POLB P06746 3/20 0.39
MAPT P10636 3/20 0.39
ADAMTS4 O75173 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
VCP P55072 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 9/20 0.38
CA1 P00915 9/20 0.38
CA9 Q16790 9/20 0.38
CA2 P00918 8/20 0.38
ATIC P31939 1/20 0.37
HTR2B P41595 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MPI P34949 1/20 0.37

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
SCHEMBL4896250 1.00 PTPN11 (0.45) PTPN11KDRCDK2POLBMAPT
SCHEMBL4897722 0.93 POLB (0.47) PTPN11KDRCDK2POLBMAPT
SCHEMBL4897715 0.93 POLB (0.47) PTPN11KDRCDK2POLBMAPT
SCHEMBL4900103 0.90 HTR2B (0.41) PTPN11KDRCDK2POLBMAPT
SCHEMBL4900110 0.90 HTR2B (0.41) PTPN11KDRCDK2POLBMAPT
SCHEMBL4903236 0.88 HTR2B (0.39) PTPN11KDRCDK2POLBMAPT
SCHEMBL4903245 0.88 HTR2B (0.39) PTPN11KDRCDK2POLBMAPT
SCHEMBL4904809 0.85 HTR2B (0.39) PTPN11KDRCDK2POLBMAPT
SCHEMBL4904804 0.85 HTR2B (0.39) PTPN11KDRCDK2POLBMAPT
SCHEMBL4904442 0.85 MGAT2 (0.46) KDRCDK2POLBMAPTMEN1

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-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-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-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
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

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 16/4885KDR 355/4885CDK2 541/4885

“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.