SCHEMBL4008052

SCHEMBL4008052

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)SCF

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 11/20 0.78
▸ PGR P06401 7/20 0.78
▸ AR P10275 3/20 0.78
▸ PTGS1 P23219 2/20 0.78
▸ NR3C2 P08235 2/20 0.78
▸ CNR1 P21554 1/20 0.78
▸ CYP3A4 P08684 7/20 0.66
▸ LMNA P02545 3/20 0.66
▸ ADORA3 P0DMS8 3/20 0.66
▸ CYP2D6 P10635 2/20 0.66
▸ CYP2C9 P11712 2/20 0.66
▸ ABCB11 O95342 2/20 0.66
▸ CYP1A2 P05177 1/20 0.66
▸ CYP2C19 P33261 1/20 0.66
▸ SLCO1B3 Q9NPD5 1/20 0.66
▸ SLCO1B1 Q9Y6L6 1/20 0.66
▸ USP2 O75604 3/20 0.58
▸ NR1I2 O75469 3/20 0.58
▸ MAPT P10636 2/20 0.58
▸ MLNR O43193 1/20 0.58

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
SCHEMBL27255186 1.00 NR3C1 (0.78) NR3C1PGRARPTGS1NR3C2
SCHEMBL3999196 1.00 NR3C1 (0.78) NR3C1PGRARPTGS1NR3C2
SCHEMBL244665 0.92 NR3C1 (0.66) NR3C1PGRARPTGS1NR3C2
SCHEMBL4216341 0.92 NR3C1 (0.66) NR3C1PGRARPTGS1NR3C2
SCHEMBL15226045 0.92 NR3C1 (0.66) NR3C1PGRARPTGS1NR3C2
SCHEMBL11251406 0.91 NR3C1 (0.72) NR3C1PGRARPTGS1NR3C2
SCHEMBL15225970 0.91 NR3C1 (0.64) NR3C1PGRARPTGS1NR3C2
SCHEMBL11081794 0.90 NR3C1 (0.68) NR3C1PGRARPTGS1NR3C2
SCHEMBL4218105 0.90 NR3C1 (0.63) NR3C1PGRARPTGS1NR3C2
SCHEMBL4102916 0.89 NR3C1 (0.72) NR3C1PGRARPTGS1CYP3A4

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
US-7498321-B2 17β-carbothioate 17α-arylcarbonyloxyloxy androstane derivative as anti-inflammatory agents GLAXO GROUP LIMITED (GB) 2009-03-03 — — US disclosed
US-20050175545-A1 Formulation for inhalation comprising a glucocorticoid and a beta 2-adrenoreceptor agonist GLAXO GROUP LIMITED (GB) 2005-08-11 — — US disclosed
US-20040028615-A1 17.beta.-carbothioate 17.alpha.-arylcarbonyloxyloxy androstane derivative as anti-inflammatory agents GLAXOSMITHKLINE INTELLECTUAL PROPERTY MANAGEMENT LIMITED (GB) 2004-02-12 — — US 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-20050175545-A1 Formulation for inhalation comprising a glucocorticoid and a beta 2-adrenoreceptor agonist ADRB2, ADRB1, NR3C2 NR3C1 5/4885PGR 831/4885AR 107/4885
US-20040028615-A1 17.beta.-carbothioate 17.alpha.-arylcarbonyloxyloxy androstane derivative as anti-inflammatory agents HSD17B1, HSD17B7, HSD3B1 NR3C1 9/4885PGR 491/4885AR 70/4885

“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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