SCHEMBL21963437

SCHEMBL21963437

CC(C)(C)C(=O)Oc1ccc(-c2cc3c(=O)[nH]ccc3s2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.42
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA2 P00918 3/20 0.38
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL21963439 0.75 GSK3B (0.41) ELANENPC1ALDH1A1MAPTHPGD
SCHEMBL7775891 0.75 CA2 (0.61) ELANECA2
SCHEMBL21963465 0.74 RAB9A (0.40) NPC1ALDH1A1TP53MAPTHPGD
SCHEMBL4515919 0.73 RAB9A (0.55) NPC1ALDH1A1TP53MAPTHPGD
SCHEMBL14911794 0.71 GSK3B (0.56) ALDH1A1MAPTHPGDRAB9A
SCHEMBL13998362 0.69 ELANE (0.76) ELANEHSD17B10
SCHEMBL21963440 0.68 PTP4A3 (0.58) ELANECA2
SCHEMBL21963442 0.68 CDC7 (0.57) ELANECA2MEN1KMT2A
SCHEMBL22369614 0.67 ELANE (0.86) ELANE
SCHEMBL17369683 0.66 HDAC3 (0.59) ELANEMEN1KMT2A

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-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 (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 ELANE 4296/4885NPC1 4780/4885ALDH1A1 1620/4885
US-12202839-B2 In-flow photooxygenation of aminothienopyridinones generates PTP4A3 phosphatase inhibitors PTP4A3, PTPRO, PTPRC ELANE 3973/4885NPC1 4770/4885ALDH1A1 1667/4885
US-20210395266-A1 IN-FLOW PHOTOOXYGENATION OF AMINOTHIENOPYRIDINONES GENERATES NOVEL PTP4A3 PHOSPHATASE INHIBITORS PTP4A3, PTPRO, PTPRC ELANE 4102/4885NPC1 4784/4885ALDH1A1 1488/4885
US-12227515-B2 In-flow photooxygenation of aminothienopyridinones generates novel PTP4A3 phosphatase inhibitors PTP4A3, PTPRC, PTPRF ELANE 4296/4885NPC1 4780/4885ALDH1A1 1620/4885

“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.