SCHEMBL6232546

SCHEMBL6232546

COc1ccc(-c2oc(CO)nc2-c2ccc(C#N)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.47
PPARD Q03181 7/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
CNR1 P21554 1/20 0.45
CASP1 P29466 1/20 0.45
CNR2 P34972 1/20 0.45
CASP7 P55210 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ADORA1 P30542 1/20 0.43
THRB P10828 1/20 0.42
KDM1A O60341 1/20 0.42
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL5586019 0.89 PPARD (0.52) PPARDCYP3A4MEN1KMT2ALMNA
SCHEMBL6539819 0.88 PPARD (0.47) GSK3BPPARDMAPTSMN1; SMN2CYP3A4
SCHEMBL6539084 0.88 PPARD (0.47) GSK3BPPARDMAPTSMN1; SMN2CYP3A4
SCHEMBL6539073 0.84 PPARD (0.50) GSK3BPPARDMAPTSMN1; SMN2CYP3A4
SCHEMBL6540399 0.80 PPARD (0.54) PPARDMAPTMEN1KMT2AGAA
SCHEMBL6231803 0.80 PPARD (0.54) PPARDMAPTMEN1KMT2AGAA
SCHEMBL11279704 0.79 PTGS2 (0.51) PPARDCYP3A4LMNAHPGDMAPK1
SCHEMBL6538975 0.78 PPARD (0.49) PPARDMEN1KMT2ARXRARXRB
SCHEMBL6540135 0.77 ADORA1 (0.42) PPARDMAPTSMN1; SMN2CYP3A4ALOX15
SCHEMBL6539505 0.76 ADORA1 (0.51) MAPTSMN1; SMN2CYP3A4ALOX15CNR1

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-1583749-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE Astellas Pharma Inc. (JP) 2005-10-12 EP disclosed
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US disclosed
WO-2004065374-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE ASTELLAS PHARMA INC. (JP) 2004-08-05 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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 GSK3B 3866/4885PPARD 1747/4885MAPT 4796/4885

“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.