SCHEMBL18281591

SCHEMBL18281591

O=C(Nc1ccccc1)C(=O)Nc1ccc(NC(=O)C(c2ccccc2)S(=O)(=O)O)cc1

nearest known ligand 0.86

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.86
PTPN6 P29350 3/20 0.86
PTPN11 Q06124 3/20 0.86
ACP1 P24666 12/20 0.62
PTPN12 Q05209 4/20 0.60
PTPN13 Q12923 3/20 0.60
SSU72 Q9NP77 3/20 0.60
PTPN7 P35236 2/20 0.60
SRC P12931 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 2/20 0.53
S1PR3 Q99500 1/20 0.46

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
SCHEMBL18289745 0.93 PTPN1 (1.00) PTPN1PTPN6PTPN11ACP1PTPN12
SCHEMBL18281617 0.92 PTPN1 (0.79) PTPN1PTPN6PTPN11ACP1PTPN12
SCHEMBL18281622 0.91 PTPN1 (1.00) PTPN1PTPN6PTPN11ACP1PTPN12
SCHEMBL20281420 0.91 PTPN1 (0.78) PTPN1PTPN6PTPN11ACP1PTPN12
SCHEMBL18281593 0.90 PTPN1 (1.00) PTPN1PTPN6PTPN11ACP1PTPN12
SCHEMBL18291877 0.88 PTPN1 (0.91) PTPN1PTPN6PTPN11ACP1PTPN12
SCHEMBL20281609 0.86 PTPN1 (0.71) PTPN1PTPN6PTPN11ACP1PTPN12
SCHEMBL18281579 0.85 PTPN11 (0.65) PTPN1PTPN6PTPN11ACP1PTPN12
SCHEMBL18281601 0.84 PTPN1 (0.73) PTPN1PTPN6PTPN11ACP1PTPN12
SCHEMBL6939608 0.83 PTPN1 (0.67) PTPN1PTPN6PTPN11ACP1PTPN12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180170861-A1 SMALL MOLECULE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES AND USED THEREOF INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2018-06-21 US disclosed
US-20180170861-A1 SMALL MOLECULE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES AND USED THEREOF INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2018-06-21 US disclosed
US-20180170862-A1 PROTEIN TYROSINE PHOSPHATASES OR SHP2 INHIBITORS AND USES THEREOF INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2018-06-21 US disclosed
US-20180170862-A1 PROTEIN TYROSINE PHOSPHATASES OR SHP2 INHIBITORS AND USES THEREOF INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2018-06-21 US disclosed
WO-2016196591-A1 PROTEIN TYROSINE PHOSPHATASES OR SHP2 INHIBITORS AND USES THEREOF INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2016-12-08 WO disclosed
WO-2016196569-A1 SMALL MOLECULE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES AND USES THEREOF INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2016-12-08 WO disclosed
WO-2016196569-A1 SMALL MOLECULE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES AND USES THEREOF INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2016-12-08 WO disclosed
WO-2016196591-A1 PROTEIN TYROSINE PHOSPHATASES OR SHP2 INHIBITORS AND USES THEREOF INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2016-12-08 WO 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 (2 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-20180170861-A1 SMALL MOLECULE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES AND USED THEREOF PTPA, EPM2A, PTPRA PTPN1 33/4885PTPN6 28/4885PTPN11 60/4885
US-20180170862-A1 PROTEIN TYROSINE PHOSPHATASES OR SHP2 INHIBITORS AND USES THEREOF PTPA, PTPRA, PTPRCAP PTPN1 22/4885PTPN6 23/4885PTPN11 48/4885

“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.