SCHEMBL4900103

SCHEMBL4900103

CNC(=O)c1cccc(N/N=C2\C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.41
CDK2 P24941 1/20 0.39
KDR P35968 1/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 2/20 0.38
HSP90AA1 P07900 1/20 0.38
VCP P55072 1/20 0.38
CA12 O43570 6/20 0.37
CA1 P00915 6/20 0.37
CA2 P00918 6/20 0.37
CA9 Q16790 6/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
PTPN11 Q06124 4/20 0.36

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
SCHEMBL4900110 1.00 HTR2B (0.41) HTR2BCDK2KDRMAPTPOLB
SCHEMBL4897715 0.92 POLB (0.47) HTR2BCDK2KDRMAPTPOLB
SCHEMBL4897722 0.92 POLB (0.47) HTR2BCDK2KDRMAPTPOLB
SCHEMBL4903236 0.90 HTR2B (0.39) HTR2BCDK2KDRMAPTPOLB
SCHEMBL4903245 0.90 HTR2B (0.39) HTR2BCDK2KDRMAPTPOLB
SCHEMBL4896250 0.90 PTPN11 (0.45) HTR2BCDK2KDRMAPTPOLB
SCHEMBL4896245 0.90 PTPN11 (0.45) HTR2BCDK2KDRMAPTPOLB
SCHEMBL4904489 0.87 TP53 (0.45) MAPTPOLBKMT2AL3MBTL1ALDH1A1
SCHEMBL4903198 0.87 PTPN11 (0.50) HTR2BCDK2KDRMAPTPOLB
SCHEMBL4904487 0.87 TP53 (0.45) MAPTPOLBKMT2AL3MBTL1ALDH1A1

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-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 HTR2B 2790/4885CDK2 541/4885KDR 355/4885

“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.