SCHEMBL4903293

SCHEMBL4903293

CC(C)NS(=O)(=O)c1ccc2c(c1)/C(=N/Nc1cccc(C(=O)NCCN(C)C)c1)C(=O)N2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
PKM P14618 1/20 0.43
ABL1 P00519 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
AKT2 P31751 2/20 0.41
PDPK1 O15530 1/20 0.41
PDK1 Q15118 1/20 0.41
PARP1 P09874 3/20 0.40
PTPN11 Q06124 1/20 0.39
MAPT P10636 1/20 0.37
BRD4 O60885 1/20 0.36
HTR2B P41595 1/20 0.36
AKR1C3 P42330 1/20 0.36
CDK2 P24941 1/20 0.36
KDR P35968 1/20 0.36
TOP2A P11388 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 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
SCHEMBL4903313 1.00 LMNA (0.49) LMNAPKMABL1ALDH1A1MAPK1
SCHEMBL4903212 0.90 PTPN11 (0.50) LMNAPKMALDH1A1PTPN11MAPT
SCHEMBL4903198 0.90 PTPN11 (0.50) LMNAPKMALDH1A1PTPN11MAPT
SCHEMBL4903245 0.89 HTR2B (0.39) ALDH1A1PDPK1PTPN11MAPTHTR2B
SCHEMBL4903236 0.89 HTR2B (0.39) ALDH1A1PDPK1PTPN11MAPTHTR2B
SCHEMBL4900110 0.87 HTR2B (0.41) ALDH1A1PTPN11MAPTHTR2BCDK2
SCHEMBL4900103 0.87 HTR2B (0.41) ALDH1A1PTPN11MAPTHTR2BCDK2
SCHEMBL4904487 0.86 TP53 (0.45) LMNAALDH1A1MAPK1PTPN11MAPT
SCHEMBL4904489 0.86 TP53 (0.45) LMNAALDH1A1MAPK1PTPN11MAPT
SCHEMBL4897722 0.86 POLB (0.47) PTPN11MAPTHTR2BCDK2KDR

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 5 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

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 LMNA 4809/4885PKM 4570/4885ABL1 14/4885

“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.