SCHEMBL249863

SCHEMBL249863

CCCCCCCCOc1ccc(-c2nc(-c3ccc(OCC(=O)O)cc3)c(C)s2)cc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 3/20 0.62
ATP4B P51164 3/20 0.62
PLA2G4B P0C869 8/20 0.52
RARB P10826 7/20 0.50
RARG P13631 3/20 0.50
RARA P10276 2/20 0.50
PTPN1 P18031 1/20 0.48
PLA2G4A P47712 1/20 0.47

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
SCHEMBL207159 0.84 DHODH (0.48) ATP4AATP4BPLA2G4BRARBPTPN1
SCHEMBL2697298 0.84 DHODH (0.48) ATP4AATP4BPLA2G4BRARBPTPN1
SCHEMBL10612521 0.80 RARB (0.72) PLA2G4BRARBPLA2G4A
SCHEMBL15199296 0.79 PLA2G4B (0.76) PLA2G4BRARBPLA2G4A
SCHEMBL9163844 0.79 PLA2G4B (0.76) PLA2G4BRARBPLA2G4A
SCHEMBL11842813 0.79 PLA2G4B (0.76) PLA2G4BRARBPLA2G4A
SCHEMBL7369439 0.79 PLA2G4B (0.76) PLA2G4BRARBPLA2G4A
SCHEMBL206829 0.78 PTPRC (0.49) PTPN1PLA2G4A
SCHEMBL207114 0.78 PTPRC (0.49) PTPN1PLA2G4A
SCHEMBL8744429 0.78 PLA2G4B (0.73) PLA2G4BRARBPLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US 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 (1 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-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 ATP4A 977/4885ATP4B 1788/4885PLA2G4B 4266/4885

“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.