SCHEMBL4907092

SCHEMBL4907092

O=C1Nc2ccc(S(=O)(=O)O)cc2C1=NNc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAT2 Q10469 3/20 0.42
▸ SNCA P37840 1/20 0.41
▸ EGFR P00533 2/20 0.41
▸ CASP3 P42574 2/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP2 P42575 1/20 0.41
▸ CASP4 P49662 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ CASP9 P55211 1/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ CASP8 Q14790 1/20 0.41
▸ CA1 P00915 8/20 0.40
▸ CA12 O43570 7/20 0.40
▸ CA9 Q16790 7/20 0.40
▸ CA2 P00918 7/20 0.40
▸ KDR P35968 3/20 0.40
▸ MGAT1 P26572 1/20 0.39
▸ MGAT3 Q09327 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL4907090 1.00 MGAT2 (0.42) MGAT2SNCAEGFRCASP3CASP1
SCHEMBL5422276 0.87 CA1 (0.52) CA1CA12CA9CA2KDR
SCHEMBL5422284 0.87 CA1 (0.52) CA1CA12CA9CA2KDR
SCHEMBL14111951 0.86 MGAT1 (0.45) MGAT2EGFRCASP3CASP1CASP7
SCHEMBL4904786 0.84 MEN1 (0.42) EGFRCA1CA12CA9CA2
SCHEMBL4904790 0.84 MEN1 (0.42) EGFRCA1CA12CA9CA2
SCHEMBL4907899 0.83 CA1 (0.41) MGAT2EGFRCA1CA12CA9
SCHEMBL4903322 0.83 CA1 (0.41) EGFRCASP3CASP1CASP7CASP9
SCHEMBL14111911 0.83 CA1 (0.41) EGFRCASP3CASP1CASP7CASP9
SCHEMBL14111909 0.83 CA1 (0.41) MGAT2EGFRCA1CA12CA9

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 3 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
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 MGAT2 4249/4885SNCA 1548/4885EGFR 159/4885

“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.

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