SCHEMBL4909417

SCHEMBL4909417

O=C1Nc2ccc(S(=O)(=O)O)cc2C1=NNc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOA P61586 1/20 0.42
CASP6 P55212 1/20 0.40
BRD4 O60885 3/20 0.39
CA1 P00915 7/20 0.38
CA2 P00918 7/20 0.38
CA9 Q16790 3/20 0.38
CA12 O43570 2/20 0.38
EGFR P00533 2/20 0.37
PTPN11 Q06124 1/20 0.37
GAA P10253 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
PTPRA P18433 1/20 0.36
PTPRB P23467 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL4909412 1.00 RHOA (0.42) RHOACASP6BRD4CA1CA2
SCHEMBL14111909 0.84 CA1 (0.41) CA1CA2CA9CA12EGFR
SCHEMBL14111951 0.84 MGAT1 (0.45) CA1CA2CA9CA12EGFR
SCHEMBL14111911 0.84 CA1 (0.41) CA1CA2CA9CA12EGFR
SCHEMBL4907899 0.84 CA1 (0.41) CA1CA2CA9CA12EGFR
SCHEMBL4903322 0.84 CA1 (0.41) CA1CA2CA9CA12EGFR
SCHEMBL4898165 0.83 MAOA (0.41) CA1CA2CA9CA12EGFR
SCHEMBL4904786 0.83 MEN1 (0.42) CA1CA2CA9CA12EGFR
SCHEMBL4904790 0.83 MEN1 (0.42) CA1CA2CA9CA12EGFR
SCHEMBL14111910 0.83 MAOA (0.41) CA1CA2CA9CA12EGFR

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 RHOA 979/4885CASP6 4124/4885BRD4 2749/4885

“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.