Sugi Predict

Sugi Predict / Compounds / SCHEMBL4412396

SCHEMBL4412396

SCHEMBL4412396

O=C1Nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2/C1=N/Nc1cccc(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN6 P29350 1/20 0.46
▸ PTPN11 Q06124 1/20 0.46
▸ PPARG P37231 1/20 0.45
▸ POLB P06746 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ VCP P55072 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ EPHX2 P34913 2/20 0.43
▸ NR1H4 Q96RI1 2/20 0.43
▸ GSK3B P49841 2/20 0.42
▸ PPARA Q07869 2/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ MMP13 P45452 1/20 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
SCHEMBL4412400 1.00 PTPN6 (0.46) PTPN6PTPN11PPARGPOLBMEN1
SCHEMBL4409453 0.84 MAPT (0.60) POLBMEN1KMT2AMAPTHSP90AA1
SCHEMBL4409457 0.84 MAPT (0.60) POLBMEN1KMT2AMAPTHSP90AA1
SCHEMBL14111966 0.84 PRSS12 (0.46) PPARGPOLBMEN1KMT2AMAPT
SCHEMBL14111968 0.79 MAPT (0.49) POLBMEN1KMT2AMAPTHSP90AA1
SCHEMBL4904489 0.78 TP53 (0.45) PTPN11POLBMEN1KMT2AMAPT
SCHEMBL4904487 0.78 TP53 (0.45) PTPN11POLBMEN1KMT2AMAPT
SCHEMBL4895014 0.78 KMT2A (0.52) POLBMEN1KMT2AMAPTHSP90AA1
SCHEMBL4895008 0.78 KMT2A (0.52) POLBMEN1KMT2AMAPTHSP90AA1
SCHEMBL14111963 0.77 POLB (0.48) POLBMEN1KMT2AMAPTHSP90AA1

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 PTPN6 7/4885PTPN11 16/4885PPARG 2531/4885

“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.