SCHEMBL4935561

SCHEMBL4935561

CN(C)S(=O)(=O)c1ccc2c(c1)/C(=N/Nc1ccccc1[N+](=O)[O-])C(=O)N2Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.45
CASP7 P55210 2/20 0.45
CASP6 P55212 2/20 0.45
CASP1 P29466 1/20 0.45
CASP4 P49662 1/20 0.45
CASP9 P55211 1/20 0.45
CASP8 Q14790 1/20 0.45
LMNA P02545 3/20 0.45
CA2 P00918 7/20 0.44
CA1 P00915 6/20 0.44
CA12 O43570 5/20 0.44
CA9 Q16790 5/20 0.44
GAA P10253 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
CA4 P22748 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
CA7 P43166 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL4935565 1.00 CASP3 (0.45) CASP3CASP7CASP6CASP1CASP4
SCHEMBL4909361 0.90 LMNA (0.45) CASP7CASP1LMNACA2CA12
SCHEMBL4909369 0.90 LMNA (0.45) CASP7CASP1LMNACA2CA12
SCHEMBL4938452 0.85 ALDH1A1 (0.46) CASP3CASP7CASP6CASP1CASP4
SCHEMBL4938461 0.85 ALDH1A1 (0.46) CASP3CASP7CASP6CASP1CASP4
SCHEMBL4908758 0.77 CA1 (0.70) CASP3CASP7CASP6CASP1CASP4
SCHEMBL4896187 0.74 ALDH1A1 (0.47) CASP3LMNACA2CA1CA12
SCHEMBL4414149 0.74 ALDH1A1 (0.47) CASP3LMNACA2CA1CA12
SCHEMBL4903811 0.73 CASP3 (0.48) CASP3LMNAGAAALDH1A1HPGD
SCHEMBL4903813 0.73 CASP3 (0.48) CASP3LMNAGAAALDH1A1HPGD

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 799/4885CASP6 4124/4885

“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.