SCHEMBL17669849

SCHEMBL17669849

Cn1c(-c2cccc(NC(=O)CCC(=O)Nc3ccc(-c4ccsc4)cc3)c2)c(I)c2cc(C(=O)O)c(O)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 1.00
EPM2A O95278 1/20 0.86
PTPN1 P18031 1/20 0.86
PTPRG P23470 1/20 0.86
ACP1 P24666 1/20 0.86
PTPN3 P26045 1/20 0.86
PTPRM P28827 1/20 0.86
PTPN6 P29350 1/20 0.86
PTPN7 P35236 1/20 0.86
DUSP3 P51452 1/20 0.86
PTPN5 P54829 1/20 0.86
PTPRS Q13332 1/20 0.86
PTPN14 Q15678 1/20 0.86
PTPN21 Q16825 1/20 0.86
UBLCP1 Q8WVY7 1/20 0.86
DUSP23 Q9BVJ7 1/20 0.86
SSU72 Q9NP77 1/20 0.86
CDC14A Q9UNH5 1/20 0.86
PTPN22 Q9Y2R2 1/20 0.86
DUSP10 Q9Y6W6 1/20 0.86

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
SCHEMBL16375396 0.93 PTPN11 (1.00) PTPN11EPM2APTPN1PTPRGACP1
SCHEMBL30366901 0.93 PTPN11 (1.00) PTPN11EPM2APTPN1PTPRGACP1
SCHEMBL16376118 0.88 PTPN11 (1.00) PTPN11EPM2APTPN1PTPRGACP1
SCHEMBL17669823 0.88 PTPN11 (1.00) PTPN11
SCHEMBL18323104 0.87 PTPN11 (0.84) PTPN11
SCHEMBL30367288 0.86 PTPN11 (1.00) PTPN11
SCHEMBL17669852 0.86 PTPN11 (1.00) PTPN11
SCHEMBL17669851 0.85 PTPN11 (1.00) PTPN11
SCHEMBL18323123 0.85 PTPN11 (0.86) PTPN11
SCHEMBL17669820 0.84 PTPN11 (1.00) PTPN11

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110423212-B Hydroxy indole carboxylic acid-based inhibitors of SHP2 美国印第安纳大学研究和技术公司 2023-05-09 CN disclosed
CN-105142634-B Oxindole carboxylic acid-based inhibitors of oncogenic protein tyrosine phosphatase-2(SHP2) comprising Src homology-2domain 美国印第安纳大学研究和技术公司 2020-06-12 CN disclosed
US-9522881-B2 Hydroxyindole carboxylic acid based inhibitors for oncogenic Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2) INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-12-20 US disclosed
US-9522881-B2 Hydroxyindole carboxylic acid based inhibitors for oncogenic Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2) INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-12-20 US disclosed
US-20160102054-A1 HYDROXYINDOLE CARBOXYLIC ACID BASED INHIBITORS FOR ONCOGENIC SRC HOMOLOGY-2 DOMAIN CONTAINING PROTEIN TYROSINE PHOSPHATASE-2 (SHP2) INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2016-04-14 US disclosed
US-20160102054-A1 HYDROXYINDOLE CARBOXYLIC ACID BASED INHIBITORS FOR ONCOGENIC SRC HOMOLOGY-2 DOMAIN CONTAINING PROTEIN TYROSINE PHOSPHATASE-2 (SHP2) INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2016-04-14 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-20160102054-A1 HYDROXYINDOLE CARBOXYLIC ACID BASED INHIBITORS FOR ONCOGENIC SRC HOMOLOGY-2 DOMAIN CONTAINING PROTEIN TYROSINE PHOSPHATASE-2 (SHP2) SRC, PTPRCAP, PTPRJ PTPN11 33/4885EPM2A 1637/4885PTPN1 20/4885

“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.