SCHEMBL4907200

SCHEMBL4907200

COc1ccc(CNS(=O)(=O)c2ccc3c(c2)C(=NNc2ccccc2[N+](=O)[O-])C(=O)N3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.47
MGAT2 Q10469 2/20 0.44
ALDH1A1 P00352 4/20 0.44
CYP19A1 P11511 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
LMNA P02545 3/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
VCAM1 P19320 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4907197 1.00 SYK (0.47) SYKMGAT2ALDH1A1CYP19A1CA1
SCHEMBL4907836 0.93 TP53 (0.51) SYKMGAT2ALDH1A1CYP19A1CA1
SCHEMBL4907827 0.93 TP53 (0.51) SYKMGAT2ALDH1A1CYP19A1CA1
SCHEMBL4906822 0.89 PTPN1 (0.47) MGAT2ALDH1A1CYP19A1CA1CA2
SCHEMBL4413418 0.89 PTPN1 (0.47) MGAT2ALDH1A1CYP19A1CA1CA2
SCHEMBL14111925 0.87 SYK (0.49) SYKMGAT2ALDH1A1CYP19A1CA1
SCHEMBL14111847 0.87 MGAT2 (0.44) MGAT2ALDH1A1CYP19A1LMNAMAPT
SCHEMBL14111856 0.85 ALDH1A1 (0.46) MGAT2ALDH1A1LMNAMAPTHTT
SCHEMBL4901212 0.84 ALDH1A1 (0.44) MGAT2ALDH1A1CA1CA2LMNA
SCHEMBL4907918 0.84 ALDH1A1 (0.44) MGAT2ALDH1A1CA1CA2LMNA

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 2 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-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 SYK 253/4885MGAT2 4249/4885ALDH1A1 3859/4885

“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.