SCHEMBL6183317

SCHEMBL6183317

COc1ccc(Oc2ccc3c(cnn3-c3ccc(C#N)cc3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.55
CYP11B2 P19099 3/20 0.46
CYP11B1 P15538 2/20 0.46
NPBWR1 P48145 4/20 0.45
MCHR1 Q99705 3/20 0.45
SMO Q99835 1/20 0.44
NR3C1 P04150 3/20 0.42
USP7 Q93009 1/20 0.42
MAPKAPK2 P49137 1/20 0.40
KDM1A O60341 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
OPRK1 P41145 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP2 O95551 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL6282015 0.84 CYP11B1 (0.61) PGRCYP11B2CYP11B1NPBWR1NR3C1
SCHEMBL6210535 0.78 PGR (0.50) PGRCYP11B2NR3C1ALDH1A1RAB9A
SCHEMBL13486135 0.77 NR3C1 (0.50) PGRCYP11B2CYP11B1NPBWR1MCHR1
SCHEMBL6183008 0.77 MMP13 (0.57) PGR
SCHEMBL6281960 0.77 CYP11B2 (0.59) CYP11B2CYP11B1NPBWR1MCHR1SMO
SCHEMBL6208610 0.75 L3MBTL1 (0.49) PGRCYP11B2NPC1ALDH1A1LMNA
SCHEMBL837429 0.75 CYP11B1 (0.52) CYP11B2CYP11B1NPBWR1SMONR3C1
SCHEMBL13836302 0.75 PGR (0.64) PGRCYP11B2NR3C1
SCHEMBL3806757 0.75 PGR (0.60) PGRCYP11B2CYP11B1SMONR3C1
SCHEMBL836751 0.75 CYP11B2 (0.67) PGRCYP11B2CYP11B1NR3C1

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
US-6919332-B2 N-substituted-heteroaryloxy-aryloxy-pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER INC. (US) 2005-07-19 US disclosed
EP-1507535-A1 PYRIMIDINE-2,4,6-TRIONE METALLO-PROTEINASE INHIBITORS Pfizer Products Inc. (US) 2005-02-23 EP disclosed
US-20030232849-A1 N-substituted-heteroaryloxy-aryloxy-pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER INC. 2003-12-18 US disclosed
WO-2003090751-A1 PYRIMIDINE-2, 4, 6-TRIONE METALLO-PROTEINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2003-11-06 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-20030232849-A1 N-substituted-heteroaryloxy-aryloxy-pyrimidine-2,4,6-trione metalloproteinase inhibitors MMP8, MMP9, MMP1 PGR 610/4885CYP11B2 702/4885CYP11B1 585/4885

“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.