Sugi Predict

Sugi Predict / Compounds / SCHEMBL4409453

SCHEMBL4409453

SCHEMBL4409453

O=C1Nc2ccc(C(=O)O)cc2/C1=N/Nc1cccc(C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.60
▸ L3MBTL1 Q9Y468 3/20 0.60
▸ POLB P06746 3/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ HSP90AA1 P07900 1/20 0.60
▸ VCP P55072 1/20 0.60
▸ TLK2 Q86UE8 3/20 0.44
▸ PDPK1 O15530 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ GSK3B P49841 4/20 0.43
▸ RAB9A P51151 7/20 0.43
▸ NPC1 O15118 6/20 0.43
▸ GAA P10253 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ NOX1 Q9Y5S8 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ KDR P35968 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41

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
SCHEMBL4409457 1.00 MAPT (0.60) MAPTL3MBTL1POLBMEN1KMT2A
SCHEMBL4895008 0.92 KMT2A (0.52) MAPTL3MBTL1POLBMEN1KMT2A
SCHEMBL4895014 0.92 KMT2A (0.52) MAPTL3MBTL1POLBMEN1KMT2A
SCHEMBL4408999 0.90 MEN1 (0.67) MAPTL3MBTL1POLBMEN1KMT2A
SCHEMBL4408992 0.90 MEN1 (0.67) MAPTL3MBTL1POLBMEN1KMT2A
SCHEMBL14111968 0.89 MAPT (0.49) MAPTL3MBTL1POLBMEN1KMT2A
SCHEMBL14111963 0.89 POLB (0.48) MAPTL3MBTL1POLBMEN1KMT2A
SCHEMBL4412400 0.84 PTPN6 (0.46) MAPTL3MBTL1POLBMEN1KMT2A
SCHEMBL4412396 0.84 PTPN6 (0.46) MAPTL3MBTL1POLBMEN1KMT2A
SCHEMBL4897722 0.83 POLB (0.47) MAPTL3MBTL1POLBMEN1KMT2A

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 5 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
WO-2009135000-A2 INHIBITION OF SHP2/PTPN11 PROTEIN TYROSINE PHOSPHATASE BY NSC-117199 AND ANALOGS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2009-11-05 — — WO 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 MAPT 4753/4885L3MBTL1 4217/4885POLB 4251/4885

“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.