SCHEMBL22014891

SCHEMBL22014891

N=C1C(=O)NC(=O)c2cc(-c3cccc(C(F)(F)F)c3)sc21

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTP4A3 O75365 6/20 0.73
PTP4A2 Q12974 1/20 0.73
PTP4A1 Q93096 1/20 0.73
PRF1 P14222 1/20 0.44
PARP10 Q53GL7 1/20 0.41
PARP11 Q9NR21 1/20 0.41
POLB P06746 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
NOTUM Q6P988 1/20 0.39
RXRA P19793 1/20 0.38
PIM1 P11309 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
TTR P02766 1/20 0.37
CISD1 Q9NZ45 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
MAPT P10636 1/20 0.37
XDH P47989 1/20 0.37

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
SCHEMBL22012120 0.90 PTP4A3 (0.68) PTP4A3PTP4A2PTP4A1PRF1PIM1
SCHEMBL18323037 0.85 PTP4A3 (1.00) PTP4A3PTP4A2PTP4A1MAPT
SCHEMBL24117878 0.84 PTP4A3 (0.77) PTP4A3PTP4A2PTP4A1PRF1PARP10
SCHEMBL22013809 0.82 PTP4A3 (0.77) PTP4A3PTP4A2PTP4A1PARP10PARP11
SCHEMBL22013199 0.82 PTP4A3 (0.77) PTP4A3PTP4A2PTP4A1PRF1PARP10
SCHEMBL22013811 0.80 PTP4A3 (0.74) PTP4A3PTP4A2PTP4A1PRF1MAPT
SCHEMBL22014148 0.79 PTP4A3 (0.71) PTP4A3PTP4A2PTP4A1HDAC6
SCHEMBL22012119 0.77 PTP4A3 (0.74) PTP4A3PTP4A2PTP4A1PRF1POLB
SCHEMBL22013197 0.77 PTP4A3 (0.74) PTP4A3PTP4A2PTP4A1
SCHEMBL24118155 0.74 PTP4A3 (0.61) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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.