SCHEMBL6742558

SCHEMBL6742558

COc1cccc(COCc2ccc3c(c2)CN(C(C)c2ccc(C(=O)O)cc2)C(=O)N3)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 10/20 0.44
EGLN1 Q9GZT9 1/20 0.43
PTGER4 P35408 4/20 0.43
PTGER2 P43116 4/20 0.43
TAS2R14 Q9NYV8 3/20 0.41
MMP13 P45452 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40

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
SCHEMBL6754372 0.82 MAPK1 (0.43) MAPK1
SCHEMBL6706802 0.79 NPC1 (0.51) MAPK1MMP13
SCHEMBL6753606 0.75 POLB (0.41) MAPK1MMP13
SCHEMBL6706893 0.75 MAPK1 (0.45) MAPK1MMP13
SCHEMBL6747097 0.72 ALDH1A1 (0.43) MAPK1
SCHEMBL6706821 0.72 MMP13 (0.51) MAPK1PTGER4MMP13
SCHEMBL6742554 0.70 PTGER4 (0.48) EGLN1PTGER4PTGER2TAS2R14MMP13
SCHEMBL6705942 0.69 ALDH1A1 (0.48) PTGER4MMP13
SCHEMBL3649253 0.66 MRGPRX4 (0.76) MRGPRX4
SCHEMBL6289361 0.65 MAPK1 (0.38) MAPK1MMP13

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-20040043986-A1 5,6-Fused 3,4-dihydropyrimidine-2-one derivatives as matrix metalloproteinase inhibitors NAHRA JOE (US) 2004-03-04 US disclosed
WO-2004014869-A2 5,6-FUSED 3,4-DIHYDROPYRIMIDINE-2-ONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20040043986-A1 5,6-Fused 3,4-dihydropyrimidine-2-one derivatives as matrix metalloproteinase inhibitors MMP9, MMP13, MMP25 MAPK1 686/4885EGLN1 2607/4885PTGER4 132/4885

“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.