SCHEMBL4174632

SCHEMBL4174632

COc1cccc2c1-c1ccc3c(c1C(c1cccc(C(F)(F)F)c1)O2)C(C)=CC(C)(C)N3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 17/20 1.00
▸ PGR P06401 9/20 1.00
▸ NR3C2 P08235 5/20 1.00
▸ AR P10275 5/20 1.00
▸ ESR1 P03372 1/20 0.76
▸ ESR2 Q92731 1/20 0.76

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
SCHEMBL4178655 0.95 NR3C1 (0.90) NR3C1PGRNR3C2ARESR1
SCHEMBL4178976 0.89 NR3C1 (0.88) NR3C1PGRNR3C2AR
SCHEMBL4176764 0.89 NR3C1 (0.88) NR3C1PGRNR3C2AR
SCHEMBL4174214 0.89 NR3C1 (0.80) NR3C1PGRNR3C2ARESR1
SCHEMBL4182664 0.88 NR3C1 (0.82) NR3C1PGRNR3C2AR
SCHEMBL4172146 0.88 NR3C1 (0.84) NR3C1PGRNR3C2AR
SCHEMBL4171493 0.88 NR3C1 (1.00) NR3C1PGRNR3C2ARESR1
SCHEMBL4174640 0.88 NR3C1 (0.84) NR3C1PGRNR3C2ARESR1
SCHEMBL4168024 0.88 NR3C1 (0.90) NR3C1PGRNR3C2ARESR1
SCHEMBL7031263 0.87 NR3C1 (0.77) NR3C1PGRNR3C2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1053239-A1 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 2000-11-22 — — EP claimed
WO-1999041256-A1 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1999-08-19 — — WO claimed
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 — — US disclosed
US-6951942-B2 Glucocorticoid-selective anti-inflammatory agents ABBOTT LABORATORIES (US) 2005-10-04 — — US disclosed
US-20030073703-A1 Glucocortiocoid-selective antinflammatory agents ABBOTT LABORATORIES AND LIGAND PHARMACEUTICALS INCORPORATED 2003-04-17 — — US disclosed
EP-1299392-A2 GLUCOCORTIOCOID-SELECTIVE ANTIINFLAMMATORY AGENTS Abbott Laboratories (US) 2003-04-09 — — 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
EP-1053239-B1 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LAB (US) 2003-01-08 — — EP disclosed
WO-2002002565-A2 GLUCOCORTIOCOID-SELECTIVE ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 2002-01-10 — — WO disclosed
EP-1053239-A1 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 2000-11-22 — — EP disclosed
WO-1999041256-A1 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1999-08-19 — — 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 (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 44/4885NR3C2 12/4885
US-20030073703-A1 Glucocortiocoid-selective antinflammatory agents NR3C1, GPR119, MC2R NR3C1 1/4885PGR 2562/4885NR3C2 11/4885

“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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