SCHEMBL4180767

SCHEMBL4180767

COc1cccc2c1-c1ccc3c(c1[C@H]([C@@H]1C=CCC1)O2)C(C)=CC(C)(C)N3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 20/20 1.00
▸ PGR P06401 5/20 0.72
▸ AR P10275 2/20 0.65
▸ NR3C2 P08235 1/20 0.65

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
SCHEMBL6291553 1.00 NR3C1 (1.00) NR3C1PGRARNR3C2
SCHEMBL4175050 1.00 NR3C1 (1.00) NR3C1PGRARNR3C2
SCHEMBL4174539 0.95 NR3C1 (1.00) NR3C1PGRARNR3C2
SCHEMBL6294352 0.95 NR3C1 (1.00) NR3C1PGRARNR3C2
SCHEMBL4178828 0.95 NR3C1 (1.00) NR3C1PGRARNR3C2
SCHEMBL4182458 0.86 NR3C1 (0.92) NR3C1PGRARNR3C2
SCHEMBL4183187 0.86 NR3C1 (0.78) NR3C1PGRARNR3C2
SCHEMBL4179953 0.85 NR3C1 (0.82) NR3C1PGRARNR3C2
SCHEMBL4172419 0.85 NR3C1 (1.00) NR3C1PGRARNR3C2
SCHEMBL4182424 0.84 NR3C1 (0.81) NR3C1PGR

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303498-A1 SUBSTITUTED 2-AMINO-1,3,5-TRIAZINES, AND THE USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS Bayer CropScience GmbH (DE) 2003-04-23 — — EP claimed
US-20030073703-A1 Glucocortiocoid-selective antinflammatory agents ABBOTT LABORATORIES AND LIGAND PHARMACEUTICALS INCORPORATED 2003-04-17 — — US claimed
US-6506766-B1 A pharmaceutical composition for use in treating inflammation, immune, autoimmune, and inflammatory diseases in a mammal by selectively modulating the activation, repression, agonism, and antagonism effects of the mammal's glucocorticoid ABBOTT LABORATORIES 2003-01-14 — — US claimed
EP-1053239-B1 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LAB (US) 2003-01-08 — — EP claimed
JP-2002540104-A — — 2002-11-26 — — JP claimed
WO-2002092580-A2 2,4-DIAMINO-1,3,5-TRIAZINES, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE GMBH (DE) 2002-11-21 — — WO claimed
WO-2002006251-A1 SUBSTITUTED 2-AMINO-1,3,5-TRIAZINES, AND THE USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE GMBH (DE) 2002-01-24 — — WO claimed
EP-1165563-A1 BICYCLIC HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS HERBICIDES AND PHARMACEUTICAL AGENTS Aventis CropScience GmbH (DE) 2002-01-02 — — EP claimed
EP-1163229-A1 2,4-DIAMINO-1,3,5-TRIAZINES, METHOD FOR PRODUCING THEM AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS Aventis CropScience GmbH (DE) 2001-12-19 — — EP claimed
WO-2000056734-A1 BICYCLIC HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS HERBICIDES AND PHARMACEUTICAL AGENTS AVENTIS CROPSCIENCE GMBH (DE) 2000-09-28 — — WO claimed
WO-2000056722-A1 2,4-DIAMINO-1,3,5-TRIAZINES, METHOD FOR PRODUCING THEM AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS AVENTIS CROPSCIENCE GMBH (DE) 2000-09-28 — — WO claimed
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 — — US disclosed
EP-1303498-A1 SUBSTITUTED 2-AMINO-1,3,5-TRIAZINES, AND THE USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS Bayer CropScience GmbH (DE) 2003-04-23 — — EP disclosed
US-6506766-B1 A pharmaceutical composition for use in treating inflammation, immune, autoimmune, and inflammatory diseases in a mammal by selectively modulating the activation, repression, agonism, and antagonism effects of the mammal's glucocorticoid ABBOTT LABORATORIES 2003-01-14 — — US disclosed
WO-2002092580-A2 2,4-DIAMINO-1,3,5-TRIAZINES, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE GMBH (DE) 2002-11-21 — — WO disclosed
WO-2002006251-A1 SUBSTITUTED 2-AMINO-1,3,5-TRIAZINES, AND THE USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE GMBH (DE) 2002-01-24 — — WO disclosed
EP-1163229-A1 2,4-DIAMINO-1,3,5-TRIAZINES, METHOD FOR PRODUCING THEM AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS Aventis CropScience GmbH (DE) 2001-12-19 — — EP disclosed
WO-2000056722-A1 2,4-DIAMINO-1,3,5-TRIAZINES, METHOD FOR PRODUCING THEM AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS AVENTIS CROPSCIENCE GMBH (DE) 2000-09-28 — — 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 (2 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-20090227571-A1 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA NR3C1 21/4885PGR 44/4885AR 1/4885
US-20030073703-A1 Glucocortiocoid-selective antinflammatory agents NR3C1, GPR119, MC2R NR3C1 1/4885PGR 2562/4885AR 1816/4885

“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.

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