SCHEMBL4901352

SCHEMBL4901352

O=C1Nc2ccc(S(=O)(=O)O)cc2C1=NNc1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.39
CA1 P00915 11/20 0.37
CA2 P00918 11/20 0.37
EGFR P00533 2/20 0.36
GALR3 O60755 1/20 0.35
CA12 O43570 3/20 0.35
CA9 Q16790 3/20 0.35
LRRK2 Q5S007 1/20 0.35
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MAOA P21397 1/20 0.34
CASP3 P42574 1/20 0.34

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
SCHEMBL14111912 1.00 PTPN11 (0.39) PTPN11CA1CA2EGFRGALR3
SCHEMBL4903322 0.86 CA1 (0.41) CA1CA2EGFRCA12CA9
SCHEMBL14111911 0.86 CA1 (0.41) CA1CA2EGFRCA12CA9
SCHEMBL14111910 0.84 MAOA (0.41) PTPN11CA1CA2EGFRCA12
SCHEMBL4898165 0.84 MAOA (0.41) PTPN11CA1CA2EGFRCA12
SCHEMBL4907899 0.84 CA1 (0.41) CA1CA2EGFRCA12CA9
SCHEMBL14111909 0.84 CA1 (0.41) CA1CA2EGFRCA12CA9
SCHEMBL14111951 0.84 MGAT1 (0.45) CA1CA2EGFRGALR3CA12
SCHEMBL4904790 0.82 MEN1 (0.42) PTPN11CA1CA2EGFRCA12
SCHEMBL4909412 0.82 RHOA (0.42) PTPN11CA1CA2EGFRCA12

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 PTPN11 16/4885CA1 4364/4885CA2 3177/4885

“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.