SCHEMBL21963445

SCHEMBL21963445

O=c1[nH]cc([N+](=O)[O-])c2sc(-c3ccccc3)cc12

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTP4A3 O75365 1/20 0.63
PTP4A2 Q12974 1/20 0.63
PTP4A1 Q93096 1/20 0.63
GSK3B P49841 11/20 0.47
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.42
CDK2 P24941 6/20 0.42
GAA P10253 1/20 0.40
PARP1 P09874 1/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 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
SCHEMBL21963461 0.87 PTP4A3 (0.47) PTP4A3PTP4A2PTP4A1GSK3BALDH1A1
SCHEMBL21963439 0.78 GSK3B (0.41) PTP4A3PTP4A2PTP4A1GSK3BRAB9A
SCHEMBL4494878 0.77 GSK3B (0.74) PTP4A3PTP4A2PTP4A1GSK3BRAB9A
SCHEMBL18323039 0.77 PTP4A3 (1.00) PTP4A3PTP4A2PTP4A1GSK3BRAB9A
SCHEMBL31484430 0.76 KDM4E (0.50) PTP4A3PTP4A2PTP4A1GSK3BRAB9A
SCHEMBL31361753 0.72 NPC1 (0.48) GSK3BRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL31361752 0.72 NPC1 (0.48) GSK3BRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL15717048 0.71 ALDH1A1 (0.64) ALDH1A1KDM4EPARP1
SCHEMBL21963447 0.70 PTP4A3 (0.59) PTP4A3PTP4A2PTP4A1GSK3BRAB9A
SCHEMBL31484409 0.69 ALDH1A1 (0.41) RAB9AALDH1A1LMNAHPGDMAPT

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-3880200-A2 IN-FLOW PHOTOOXYGENATION OF AMINOTHIENOPYRIDINONES GENERATES NOVEL PTP4A3 PHOSPHATASE INHIBITORS University of Virginia Patent Foundation (US) 2021-09-22 EP 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
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.