SCHEMBL21963447

SCHEMBL21963447

CC(=O)Nc1c[nH]c(=O)c2cc(-c3ccccc3)sc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTP4A3 O75365 1/20 0.59
PTP4A2 Q12974 1/20 0.59
PTP4A1 Q93096 1/20 0.59
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 3/20 0.50
LMNA P02545 2/20 0.50
GSK3B P49841 7/20 0.46
NQO2 P16083 1/20 0.45
APOBEC3A P31941 2/20 0.45
APOBEC3G Q9HC16 2/20 0.45
CYP1A2 P05177 1/20 0.45
MAPK1 P28482 1/20 0.45
CDK2 P24941 2/20 0.44
RAB9A P51151 3/20 0.44
HPGD P15428 1/20 0.44
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HDAC1 Q13547 2/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL4494878 0.74 GSK3B (0.74) PTP4A3PTP4A2PTP4A1ALDH1A1MAPT
SCHEMBL18323039 0.74 PTP4A3 (1.00) PTP4A3PTP4A2PTP4A1ALDH1A1MAPT
SCHEMBL21963445 0.70 PTP4A3 (0.63) PTP4A3PTP4A2PTP4A1ALDH1A1MAPT
SCHEMBL5561908 0.70 KDM4E (0.49) ALDH1A1MAPTKDM4ELMNANQO2
SCHEMBL5368759 0.67 MAPT (1.00) ALDH1A1MAPTKDM4ELMNAMAPK1
SCHEMBL23132065 0.66 PTP4A3 (0.47) PTP4A3PTP4A2PTP4A1ALDH1A1MAPT
SCHEMBL14085360 0.64 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ELMNAAPOBEC3A
SCHEMBL23413408 0.64 NPC1 (0.72) ALDH1A1MAPTKDM4ERAB9AHPGD
SCHEMBL13930116 0.64 ALOX15 (0.66) ALDH1A1MAPTKDM4ELMNANQO2
SCHEMBL17786450 0.64 KDM4E (0.49) ALDH1A1MAPTKDM4ELMNANQO2

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-12227515-B2 In-flow photooxygenation of aminothienopyridinones generates novel PTP4A3 phosphatase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2025-02-18 US disclosed
US-12202839-B2 In-flow photooxygenation of aminothienopyridinones generates PTP4A3 phosphatase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2025-01-21 US 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
EP-3880684-A1 IN-FLOW PHOTOOXYGENATION OF AMINOTHIENOPYRIDINONES GENERATES NOVEL PTP4A3 PHOSPHATASE INHIBITORS University of Virginia Patent Foundation (US) 2021-09-22 EP disclosed
EP-3880200-A2 IN-FLOW PHOTOOXYGENATION OF AMINOTHIENOPYRIDINONES GENERATES NOVEL PTP4A3 PHOSPHATASE INHIBITORS University of Virginia Patent Foundation (US) 2021-09-22 EP 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
WO-2020102245-A1 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 (4 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-12202839-B2 In-flow photooxygenation of aminothienopyridinones generates PTP4A3 phosphatase inhibitors PTP4A3, PTPRO, PTPRC PTP4A3 1/4885PTP4A2 5/4885PTP4A1 6/4885
US-20210395266-A1 IN-FLOW PHOTOOXYGENATION OF AMINOTHIENOPYRIDINONES GENERATES NOVEL PTP4A3 PHOSPHATASE INHIBITORS PTP4A3, PTPRO, PTPRC PTP4A3 1/4885PTP4A2 5/4885PTP4A1 6/4885
US-12227515-B2 In-flow photooxygenation of aminothienopyridinones generates novel PTP4A3 phosphatase inhibitors PTP4A3, PTPRC, PTPRF PTP4A3 1/4885PTP4A2 5/4885PTP4A1 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.