SCHEMBL4909460

SCHEMBL4909460

CCC(C)NS(=O)(=O)c1ccc2c(c1)/C(=N/Nc1ccccc1[N+](=O)[O-])C(=O)N2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAT2 Q10469 4/20 0.38
MGAT1 P26572 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 8/20 0.37
MAPK1 P28482 6/20 0.37
TDP1 Q9NUW8 5/20 0.37
L3MBTL1 Q9Y468 5/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MGAT3 Q09327 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
ADAMTS4 O75173 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
LMNA P02545 4/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL4909465 1.00 MGAT2 (0.38) MGAT2MGAT1POLBMAPTMAPK1
SCHEMBL4901208 0.91 PTPN11 (0.42) MGAT2MGAT1POLBMAPTMAPK1
SCHEMBL4901201 0.91 PTPN11 (0.42) MGAT2MGAT1POLBMAPTMAPK1
SCHEMBL14111938 0.86 MGAT2 (0.50) MGAT2MGAT1POLBMAPTMGAT3
SCHEMBL4901212 0.85 ALDH1A1 (0.44) MGAT2MGAT1POLBMAPTMAPK1
SCHEMBL4907918 0.85 ALDH1A1 (0.44) MGAT2MGAT1POLBMAPTMAPK1
Isopropylamine SCHEMBL5433077 0.83 MAPT (0.41) POLBMAPTMAPK1TDP1L3MBTL1
Isopropylamine SCHEMBL5433069 0.83 MAPT (0.41) POLBMAPTMAPK1TDP1L3MBTL1
SCHEMBL4414149 0.82 ALDH1A1 (0.47) POLBMAPTMAPK1TDP1L3MBTL1
SCHEMBL4896187 0.82 ALDH1A1 (0.47) POLBMAPTMAPK1TDP1L3MBTL1

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 6 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
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 MGAT2 4249/4885MGAT1 4206/4885POLB 4251/4885

“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.