SCHEMBL22014148

SCHEMBL22014148

COc1cccc(-c2cc3c(s2)C(=N)C(=O)NC3=O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTP4A3 O75365 6/20 0.71
PTP4A2 Q12974 1/20 0.71
PTP4A1 Q93096 1/20 0.71
HDAC6 Q9UBN7 1/20 0.46
CHEK1 O14757 1/20 0.46
IKBKB O14920 2/20 0.41
GAA P10253 1/20 0.41
GSK3B P49841 5/20 0.41
PRKCA P17252 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
PTPN1 P18031 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
PRNP P04156 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL18323037 0.84 PTP4A3 (1.00) PTP4A3PTP4A2PTP4A1GAAGSK3B
SCHEMBL22013809 0.83 PTP4A3 (0.77) PTP4A3PTP4A2PTP4A1CHEK1ALDH1A1
SCHEMBL22013199 0.81 PTP4A3 (0.77) PTP4A3PTP4A2PTP4A1IKBKBGSK3B
SCHEMBL24117878 0.81 PTP4A3 (0.77) PTP4A3PTP4A2PTP4A1CHEK1HSD17B1
SCHEMBL22013197 0.79 PTP4A3 (0.74) PTP4A3PTP4A2PTP4A1MEN1KMT2A
SCHEMBL22014891 0.79 PTP4A3 (0.73) PTP4A3PTP4A2PTP4A1HDAC6
SCHEMBL22012119 0.76 PTP4A3 (0.74) PTP4A3PTP4A2PTP4A1IKBKBGSK3B
SCHEMBL22013811 0.76 PTP4A3 (0.74) PTP4A3PTP4A2PTP4A1IKBKBPRKCA
SCHEMBL22012120 0.75 PTP4A3 (0.68) PTP4A3PTP4A2PTP4A1
SCHEMBL11520185 0.73 HSD17B1 (0.56) HDAC6IKBKBALDH1A1PTPN1HSD17B1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022221602-A2 COMPOSITIONS AND METHODS FOR TREATING AND/OR PREVENTING LUNG INJURY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2022-10-20 WO 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
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.