SCHEMBL4897715

SCHEMBL4897715

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HSP90AA1 P07900 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
VCP P55072 1/20 0.47
PTPN11 Q06124 4/20 0.43
PTPN1 P18031 2/20 0.43
PTPN6 P29350 2/20 0.43
CDK2 P24941 1/20 0.41
KDR P35968 1/20 0.41
MGAT2 Q10469 1/20 0.39
HTR2B P41595 1/20 0.38
PFKFB3 Q16875 1/20 0.38
RAB9A P51151 2/20 0.38
APAF1 O14727 1/20 0.38
TDP2 O95551 1/20 0.38
NSD2 O96028 1/20 0.38
BLM P54132 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
SCHEMBL4897722 1.00 POLB (0.47) POLBMAPTMEN1KMT2AHSP90AA1
SCHEMBL4896245 0.93 PTPN11 (0.45) POLBMAPTMEN1KMT2AHSP90AA1
SCHEMBL4896250 0.93 PTPN11 (0.45) POLBMAPTMEN1KMT2AHSP90AA1
SCHEMBL4900110 0.92 HTR2B (0.41) POLBMAPTMEN1KMT2AHSP90AA1
SCHEMBL4900103 0.92 HTR2B (0.41) POLBMAPTMEN1KMT2AHSP90AA1
SCHEMBL4903236 0.89 HTR2B (0.39) POLBMAPTMEN1KMT2AHSP90AA1
SCHEMBL4903245 0.89 HTR2B (0.39) POLBMAPTMEN1KMT2AHSP90AA1
SCHEMBL4904442 0.89 MGAT2 (0.46) POLBMAPTMEN1KMT2ACDK2
SCHEMBL4904444 0.89 MGAT2 (0.46) POLBMAPTMEN1KMT2ACDK2
SCHEMBL4904487 0.88 TP53 (0.45) POLBMAPTMEN1KMT2AHSP90AA1

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
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 POLB 4251/4885MAPT 4753/4885MEN1 1753/4885

“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.