SCHEMBL6261815

SCHEMBL6261815

O=C1C=C(c2ccc3c(c2)OCO3)CC(=O)O1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.48
PTPRC P08575 1/20 0.43
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
ALOX5 P09917 3/20 0.42
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
TNKS O95271 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KIF11 P52732 1/20 0.39
CMA1 P23946 1/20 0.39
PDE10A Q9Y233 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL27699717 0.72 PTGS2 (0.47) PTGS2PTPRCCA12CA2CA9
SCHEMBL678460 0.70 PTGS2 (0.48) PTGS2PTPRCCA12CA2CA9
SCHEMBL6316764 0.69 PTGS2 (0.87) PTGS2PTPRCCA12CA2CA9
SCHEMBL22162812 0.67 CA12 (0.58) PTGS2PTPRCCA12CA2CA9
SCHEMBL615263 0.67 PTGS2 (0.45) PTGS2PTPRCCA12CA2CA9
SCHEMBL1855196 0.67 GAA (0.41) CA12CA2CA9ALDH1A1TNKS
SCHEMBL22292284 0.66 PTGS2 (0.51) PTGS2PTPRCCA12CA2CA9
SCHEMBL12164202 0.65 KDM4E (0.35) RAB9AKDM4EALDH1A1NPC1HPGD
SCHEMBL4751583 0.65 PTGS2 (1.00) PTGS2PTPRCALOX5RAB9AKDM4E
SCHEMBL8347103 0.65 ALOX5 (0.47) PTGS2PTPRCCA12CA2CA9

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
EP-1592421-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Corporation (US) 2005-11-09 EP disclosed
US-20050043344-A1 Heteroarylalkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2005-02-24 US disclosed
WO-2004058254-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2004-07-15 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 (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-20050043344-A1 Heteroarylalkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGAV, ITGA6 PTGS2 3593/4885PTPRC 1196/4885CA12 2025/4885

“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.