SCHEMBL565842

SCHEMBL565842

O=C1Nc2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2C1=NNc1cccc(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.48
PTPN11 Q06124 5/20 0.48
PTPN6 P29350 4/20 0.48
POLB P06746 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.42
VCP P55072 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP19A1 P11511 1/20 0.42
MGAT2 Q10469 1/20 0.41
PPARA Q07869 3/20 0.41
CXCR4 P61073 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39

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
SCHEMBL565841 1.00 PTPN1 (0.48) PTPN1PTPN11PTPN6POLBMAPT
SCHEMBL565563 0.91 MEN1 (0.44) PTPN1PTPN11PTPN6POLBMAPT
SCHEMBL565562 0.91 MEN1 (0.44) PTPN1PTPN11PTPN6POLBMAPT
SCHEMBL23686218 0.83 PTPN1 (0.46) PTPN1PTPN11PTPN6POLBMAPT
SCHEMBL4897722 0.81 POLB (0.47) PTPN1PTPN11PTPN6POLBMAPT
SCHEMBL4897715 0.81 POLB (0.47) PTPN1PTPN11PTPN6POLBMAPT
SCHEMBL4409457 0.78 MAPT (0.60) POLBMAPTMEN1HSP90AA1VCP
SCHEMBL4409453 0.78 MAPT (0.60) POLBMAPTMEN1HSP90AA1VCP
SCHEMBL4904489 0.78 TP53 (0.45) PTPN11POLBMAPTMEN1HSP90AA1
SCHEMBL4904487 0.78 TP53 (0.45) PTPN11POLBMAPTMEN1HSP90AA1

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-8623906-B2 Carboxy isatin hydrazones and their esters as Shp2 inhibitors H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-01-07 US disclosed
US-20120034186-A1 INDOLINE SCAFFOLD SHP-2 INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY OF SOUTH FLORIDA (US) 2012-02-09 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-20120034186-A1 INDOLINE SCAFFOLD SHP-2 INHIBITORS AND METHOD OF TREATING CANCER PTPN1, PTPN2, PTPN7 PTPN1 1/4885PTPN11 16/4885PTPN6 7/4885

“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.