SCHEMBL4898697

SCHEMBL4898697

CN1C(=O)C(=O)c2cc(S(=O)(=O)N(C)C)ccc21

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 7/20 0.54
CASP7 P55210 4/20 0.53
CASP1 P29466 1/20 0.53
CASP4 P49662 1/20 0.53
CASP9 P55211 1/20 0.53
CASP6 P55212 1/20 0.53
TTR P02766 1/20 0.47
CES1 P23141 1/20 0.47
PKM P14618 1/20 0.46
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.43
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL4908838 0.80 PARK7 (0.57) CASP3CASP7CASP1PKMHTT
SCHEMBL18954594 0.80 CASP3 (0.57) CASP3CASP7CASP1CASP4CASP9
SCHEMBL14876490 0.76 CUL4A (0.48) CASP3CASP7CES1HTT
SCHEMBL4908758 0.75 CA1 (0.70) CASP3CASP7CASP1CASP4CASP9
SCHEMBL25919824 0.74 CASP3 (0.62) CASP3CASP7CASP1CASP4CASP9
SCHEMBL28086690 0.73 CASP7 (0.53) CASP3CASP7CASP1HTT
SCHEMBL9029012 0.72 CASP3 (0.65) CASP3CASP7CASP1CASP4CASP9
SCHEMBL29403414 0.72 CASP3 (0.65) CASP3CASP7CASP1CASP4CASP9
SCHEMBL25919826 0.71 CASP3 (0.54) CASP3CASP7CASP1CASP4CASP9
SCHEMBL12793853 0.71 GAA (0.63) CASP3CASP7MAPT

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 7 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
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 CASP3 4633/4885CASP7 799/4885CASP1 4656/4885

“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.