SCHEMBL4904444

SCHEMBL4904444

CC(C)NS(=O)(=O)c1ccc2c(c1)C(=NNc1ccccc1)C(=O)N2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAT2 Q10469 4/20 0.46
CDK2 P24941 1/20 0.45
KDR P35968 1/20 0.45
MGAT1 P26572 1/20 0.43
MGAT3 Q09327 1/20 0.43
HTT P42858 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
GFER P55789 1/20 0.39
BRD4 O60885 2/20 0.39
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CASP3 P42574 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL4904442 1.00 MGAT2 (0.46) MGAT2CDK2KDRMGAT1MGAT3
SCHEMBL4897715 0.89 POLB (0.47) MGAT2CDK2KDRMAPTMEN1
SCHEMBL4897722 0.89 POLB (0.47) MGAT2CDK2KDRMAPTMEN1
SCHEMBL14154319 0.87 CDK2 (0.43) MGAT2CDK2KDRMGAT1MGAT3
SCHEMBL4896250 0.85 PTPN11 (0.45) MGAT2CDK2KDRMAPTMEN1
SCHEMBL4896245 0.85 PTPN11 (0.45) MGAT2CDK2KDRMAPTMEN1
SCHEMBL4903828 0.85 PTPN11 (0.43) MGAT2CDK2KDRMGAT1MGAT3
SCHEMBL4903823 0.85 PTPN11 (0.43) MGAT2CDK2KDRMGAT1MGAT3
SCHEMBL4900110 0.84 HTR2B (0.41) MGAT2CDK2KDRHTTMAPT
SCHEMBL4900103 0.84 HTR2B (0.41) MGAT2CDK2KDRHTTMAPT

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 MGAT2 4249/4885CDK2 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.