SCHEMBL4704202

SCHEMBL4704202

OCC1COc2cc(Cl)ccc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.50
FFAR1 O14842 6/20 0.45
PPARD Q03181 6/20 0.45
PPARG P37231 5/20 0.45
MAOB P27338 3/20 0.42
KDM4C Q9H3R0 1/20 0.39
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL30485736 0.86 MAOB (0.46) MAP3K14FFAR1PPARDPPARGMAOB
SCHEMBL21056035 0.86 MAOB (0.46) MAP3K14FFAR1PPARDPPARGMAOB
SCHEMBL4705434 0.83 MAP3K14 (0.46) MAP3K14FFAR1PPARDPPARGMAOB
SCHEMBL17361476 0.79 FFAR1 (0.45) FFAR1PPARDPPARGKDM4CCA2
SCHEMBL6100820 0.79 PPARD (0.40) FFAR1PPARDPPARGKDM4CCA2
SCHEMBL12362004 0.79 FFAR1 (0.47) FFAR1PPARDPPARGCA2
SCHEMBL4704564 0.78 CA2 (0.42) MAP3K14FFAR1PPARDPPARGMAOB
SCHEMBL12533501 0.77 MAP3K14 (0.69) MAP3K14FFAR1PPARDPPARGCA2
SCHEMBL2317457 0.76 CYP3A4 (0.51) FFAR1PPARDPPARGDRD2DRD3
SCHEMBL2317460 0.76 CYP3A4 (0.51) FFAR1PPARDPPARGDRD2DRD3

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
EP-1567489-B1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LTD (GB) 2008-07-23 EP disclosed
US-20060166985-A1 Pyrrolydin-2-one derivatives as inhibitors of thrombin and factor xa GLAXO GROUP LIMITED (GB) 2006-07-27 US disclosed
EP-1567489-A1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004052851-A1 PYRROLYDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LIMITED (GB) 2004-06-24 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-20060166985-A1 Pyrrolydin-2-one derivatives as inhibitors of thrombin and factor xa TFPI, TFPI2, SERPINC1 MAP3K14 2347/4885FFAR1 4730/4885PPARD 1580/4885

“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.