SCHEMBL21963439

SCHEMBL21963439

CC(C)(C)C(=O)Oc1ccc(-c2cc3c(=O)[nH]cc([N+](=O)[O-])c3s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.41
CDK2 P24941 5/20 0.40
PTP4A3 O75365 1/20 0.39
PTP4A2 Q12974 1/20 0.39
PTP4A1 Q93096 1/20 0.39
MAPT P10636 1/20 0.37
ELANE P08246 8/20 0.36
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
PDPK1 O15530 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 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
SCHEMBL21963461 0.80 PTP4A3 (0.47) GSK3BCDK2PTP4A3PTP4A2PTP4A1
SCHEMBL21963445 0.78 PTP4A3 (0.63) GSK3BCDK2PTP4A3PTP4A2PTP4A1
SCHEMBL21963437 0.75 ELANE (0.42) MAPTELANENPC1ALDH1A1HPGD
SCHEMBL31484430 0.68 KDM4E (0.50) GSK3BPTP4A3PTP4A2PTP4A1MAPT
SCHEMBL4941164 0.65 ELANE (0.61) MAPTELANEALDH1A1SMN1; SMN2
SCHEMBL7775891 0.64 CA2 (0.61) ELANE
SCHEMBL13998362 0.64 ELANE (0.76) ELANE
SCHEMBL6036166 0.64 ELANE (0.47) MAPTELANERAB9A
SCHEMBL7256004 0.64 GAA (0.49) MAPTELANEALDH1A1
SCHEMBL26343191 0.63 DTYMK (0.50) ELANE

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 GSK3B 481/4885CDK2 283/4885PTP4A3 1/4885
US-12202839-B2 In-flow photooxygenation of aminothienopyridinones generates PTP4A3 phosphatase inhibitors PTP4A3, PTPRO, PTPRC GSK3B 454/4885CDK2 400/4885PTP4A3 1/4885
US-20210395266-A1 IN-FLOW PHOTOOXYGENATION OF AMINOTHIENOPYRIDINONES GENERATES NOVEL PTP4A3 PHOSPHATASE INHIBITORS PTP4A3, PTPRO, PTPRC GSK3B 418/4885CDK2 385/4885PTP4A3 1/4885
US-12227515-B2 In-flow photooxygenation of aminothienopyridinones generates novel PTP4A3 phosphatase inhibitors PTP4A3, PTPRC, PTPRF GSK3B 481/4885CDK2 283/4885PTP4A3 1/4885

“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.