SCHEMBL22013809

SCHEMBL22013809

Cc1cccc(-c2cc3c(s2)C(=N)C(=O)NC3=O)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTP4A3 O75365 6/20 0.77
PTP4A2 Q12974 1/20 0.77
PTP4A1 Q93096 1/20 0.77
FYN P06241 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
HSD17B1 P14061 6/20 0.37
HSD17B2 P37059 5/20 0.37
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHEK1 O14757 1/20 0.35
WEE1 P30291 1/20 0.35
PGR P06401 1/20 0.35
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
SCHEMBL22013197 0.87 PTP4A3 (0.74) PTP4A3PTP4A2PTP4A1KMT2A
SCHEMBL18323037 0.87 PTP4A3 (1.00) PTP4A3PTP4A2PTP4A1HSD17B1HSD17B2
SCHEMBL22013199 0.84 PTP4A3 (0.77) PTP4A3PTP4A2PTP4A1PARP10PARP11
SCHEMBL24117878 0.84 PTP4A3 (0.77) PTP4A3PTP4A2PTP4A1HSD17B1HSD17B2
SCHEMBL22014148 0.83 PTP4A3 (0.71) PTP4A3PTP4A2PTP4A1HSD17B1HSD17B2
SCHEMBL22014891 0.82 PTP4A3 (0.73) PTP4A3PTP4A2PTP4A1PARP10PARP11
SCHEMBL22012119 0.79 PTP4A3 (0.74) PTP4A3PTP4A2PTP4A1ALDH1A1LMNA
SCHEMBL22013811 0.79 PTP4A3 (0.74) PTP4A3PTP4A2PTP4A1RAB9AKMT2A
SCHEMBL22012120 0.78 PTP4A3 (0.68) PTP4A3PTP4A2PTP4A1
SCHEMBL24118155 0.74 PTP4A3 (0.61) PTP4A3PTP4A2PTP4A1HSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.