SCHEMBL4903828

SCHEMBL4903828

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.43
CDK2 P24941 1/20 0.41
KDR P35968 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 3/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
MGAT2 Q10469 3/20 0.37
MGAT1 P26572 2/20 0.37
MGAT3 Q09327 1/20 0.37
SMN1; SMN2 Q16637 1/20 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
SCHEMBL4903823 1.00 PTPN11 (0.43) PTPN11CDK2KDRMEN1KMT2A
SCHEMBL4903838 0.91 CDK2 (0.40) PTPN11CDK2KDRKMT2APOLB
SCHEMBL4903841 0.91 CDK2 (0.40) PTPN11CDK2KDRKMT2APOLB
SCHEMBL4907302 0.91 KDR (0.40) PTPN11CDK2KDRKMT2ATDP1
SCHEMBL4907304 0.91 KDR (0.40) PTPN11CDK2KDRKMT2ATDP1
SCHEMBL4904950 0.90 CDK2 (0.39) PTPN11CDK2KDRALDH1A1LMNA
SCHEMBL4904943 0.90 CDK2 (0.39) PTPN11CDK2KDRALDH1A1LMNA
SCHEMBL4908785 0.89 CDK2 (0.39) PTPN11CDK2KDRHSD17B10KDM4E
SCHEMBL4908777 0.89 CDK2 (0.39) PTPN11CDK2KDRHSD17B10KDM4E
SCHEMBL4906515 0.89 KDM4E (0.43) PTPN11CDK2KDRMEN1KMT2A

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 2 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

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 16/4885CDK2 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.