SCHEMBL22012120

SCHEMBL22012120

N=C1C(=O)NC(=O)c2cc(-c3ccc(C(F)(F)F)cc3)sc21

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTP4A3 O75365 6/20 0.68
PTP4A2 Q12974 1/20 0.68
PTP4A1 Q93096 1/20 0.68
TDP2 O95551 2/20 0.43
PRF1 P14222 1/20 0.40
PIP4K2B P78356 1/20 0.37
PIM1 P11309 3/20 0.36
CDC7 O00311 3/20 0.36
DBF4 Q9UBU7 3/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
ROCK1 Q13464 2/20 0.36
KIF11 P52732 1/20 0.35
PARP1 P09874 1/20 0.35
TNKS O95271 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
ACE2 Q9BYF1 1/20 0.34

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
SCHEMBL22014891 0.90 PTP4A3 (0.73) PTP4A3PTP4A2PTP4A1PRF1PIM1
SCHEMBL22013811 0.85 PTP4A3 (0.74) PTP4A3PTP4A2PTP4A1TDP2PRF1
SCHEMBL22012119 0.82 PTP4A3 (0.74) PTP4A3PTP4A2PTP4A1TDP2PRF1
SCHEMBL22013197 0.82 PTP4A3 (0.74) PTP4A3PTP4A2PTP4A1CDC7DBF4
SCHEMBL18323037 0.81 PTP4A3 (1.00) PTP4A3PTP4A2PTP4A1TDP2CDC7
SCHEMBL24117878 0.81 PTP4A3 (0.77) PTP4A3PTP4A2PTP4A1PRF1
SCHEMBL24118155 0.79 PTP4A3 (0.61) PTP4A3PTP4A2PTP4A1TDP2
SCHEMBL22011501 0.79 PTP4A3 (0.61) PTP4A3PTP4A2PTP4A1TDP2PRF1
SCHEMBL22013199 0.78 PTP4A3 (0.77) PTP4A3PTP4A2PTP4A1TDP2PRF1
SCHEMBL22013809 0.78 PTP4A3 (0.77) PTP4A3PTP4A2PTP4A1

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
WO-2022221602-A2 COMPOSITIONS AND METHODS FOR TREATING AND/OR PREVENTING LUNG INJURY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2022-10-20 WO disclosed
US-20220017534-A1 IN-FLOW PHOTOOXYGENATION OF AMINOTHIENOPYRIDINONES GENERATES NOVEL PTP4A3 PHOSPHATASE INHIBITORS UNITED STATES GOVERNMENT 2022-01-20 US disclosed
US-20210395266-A1 IN-FLOW PHOTOOXYGENATION OF AMINOTHIENOPYRIDINONES GENERATES NOVEL PTP4A3 PHOSPHATASE INHIBITORS UNITED STATES GOVERNMENT 2021-12-23 US disclosed
WO-2020102245-A1 IN-FLOW PHOTOOXYGENATION OF AMINOTHIENOPYRIDINONES GENERATES NOVEL PTP4A3 PHOSPHATASE INHIBITORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2020-05-22 WO disclosed
WO-2020102243-A2 IN-FLOW PHOTOOXYGENATION OF AMINOTHIENOPYRIDINONES GENERATES NOVEL PTP4A3 PHOSPHATASE INHIBITORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2020-05-22 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-20220017534-A1 IN-FLOW PHOTOOXYGENATION OF AMINOTHIENOPYRIDINONES GENERATES NOVEL PTP4A3 PHOSPHATASE INHIBITORS PTP4A3, PTPRC, PTPRF PTP4A3 1/4885PTP4A2 5/4885PTP4A1 7/4885
US-20210395266-A1 IN-FLOW PHOTOOXYGENATION OF AMINOTHIENOPYRIDINONES GENERATES NOVEL PTP4A3 PHOSPHATASE INHIBITORS PTP4A3, PTPRO, PTPRC PTP4A3 1/4885PTP4A2 5/4885PTP4A1 6/4885

“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.