SCHEMBL13928702

SCHEMBL13928702

C[C@@H]1CC2C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)SCC#CCO

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 13/20 0.83
▸ PGR P06401 5/20 0.83
▸ AR P10275 5/20 0.83
▸ NR3C2 P08235 2/20 0.83
▸ CNR1 P21554 1/20 0.83
▸ PTGS1 P23219 1/20 0.83
▸ CYP3A4 P08684 5/20 0.62
▸ ADORA3 P0DMS8 2/20 0.62
▸ NR1I2 O75469 1/20 0.62
▸ HIF1A Q16665 4/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ CHRM1 P11229 1/20 0.54
▸ ADRA1A P35348 1/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ ABCB11 O95342 1/20 0.52
▸ MAPT P10636 1/20 0.52

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
SCHEMBL4214334 1.00 NR3C1 (0.83) NR3C1PGRARNR3C2CNR1
SCHEMBL17679404 1.00 NR3C1 (0.83) NR3C1PGRARNR3C2CNR1
SCHEMBL4226974 1.00 NR3C1 (0.83) NR3C1PGRARNR3C2CNR1
SCHEMBL4360516 0.95 NR3C1 (0.85) NR3C1PGRARNR3C2CNR1
SCHEMBL15225995 0.94 NR3C1 (0.84) NR3C1PGRARNR3C2CNR1
SCHEMBL15226108 0.94 NR3C1 (0.81) NR3C1PGRARNR3C2CNR1
SCHEMBL13928704 0.94 NR3C1 (0.81) NR3C1PGRARNR3C2CNR1
SCHEMBL4213208 0.94 NR3C1 (0.81) NR3C1PGRARNR3C2CNR1
SCHEMBL15225842 0.92 NR3C1 (0.79) NR3C1PGRARNR3C2CNR1
SCHEMBL15225892 0.92 NR3C1 (0.79) NR3C1PGRARNR3C2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004133-B1 METHODS FOR TREATMENT OF INFLAMMATORY CONDITIONS USING S-[4-(3-FLUORO-3-METHYLBUTYRYLOXY) BUT-2-YNYL]6ALPHA, 9ALPHA-DIFLUORO-17ALPHA-(FURAN-2-YL) CARBONYLOXY-11BETA -HYDROXY-16ALPHA-METHYL-3-OXOANDROSTA-1,4-DIENE-17BETA -CARBOTHIOATE. SUN PHARMA ADVANCED RES CO LTD (IN) 2018-03-07 — — EP disclosed
US-9458187-B2 Methods for treatment of inflammatory conditions using S-[4-(3-fleuro-3-methylbutyryloxy)but-2-ynyl]6α, 9α-difluoro-17α-(furan-2-yl) carbonyloxy-11β-hydroxy-16α-methyl-3-oxoandrosta-1,4-diene-17β-carbothioate SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2016-10-04 — — US disclosed
US-9458187-B2 Methods for treatment of inflammatory conditions using S-[4-(3-fleuro-3-methylbutyryloxy)but-2-ynyl]6α, 9α-difluoro-17α-(furan-2-yl) carbonyloxy-11β-hydroxy-16α-methyl-3-oxoandrosta-1,4-diene-17β-carbothioate SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2016-10-04 — — US disclosed
US-20160102117-A1 METHODS FOR TREATMENT OF INFLAMMATORY CONDITIONS USING S-[4-(3- FLUORO-3-METHYLBUTYRYLOXY) BUT-2-YNYL] 6ALPHA, 9ALPHA-DIFLUORO-17ALPHA-(FURAN-2-YL) CARBONYLOXY-11BETA -HYDROXY-16ALPHA-METHYL-3-OXOANDROSTA-1,4-DIENE-17BETA - CARBOTHIOATE SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2016-04-14 — — US disclosed
US-20160102117-A1 METHODS FOR TREATMENT OF INFLAMMATORY CONDITIONS USING S-[4-(3- FLUORO-3-METHYLBUTYRYLOXY) BUT-2-YNYL] 6ALPHA, 9ALPHA-DIFLUORO-17ALPHA-(FURAN-2-YL) CARBONYLOXY-11BETA -HYDROXY-16ALPHA-METHYL-3-OXOANDROSTA-1,4-DIENE-17BETA - CARBOTHIOATE SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2016-04-14 — — US disclosed
WO-2014192027-A1 METHODS FOR TREATMENT OF INFLAMMATORY CONDITIONS USING S-[4-(3-FLUORO-3-METHYLBUTYRYLOXY) BUT-2-YNYL] 6ALPHA, 9ALPHA-DIFLUORO-17ALPHA-(FURAN-2-YL) CARBONYLOXY-11BETA -HYDROXY-16ALPHA-METHYL-3-OXOANDROSTA-1,4-DIENE-17BETA -CARBOTHIOATE. SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2014-12-04 — — WO disclosed
US-8785425-B2 11β-hydroxyandrosta-4-ene-3-ones SUN PHARMA ADVANCED RESEARCH COMPANY LTD. 2014-07-22 — — US disclosed
US-8785425-B2 11β-hydroxyandrosta-4-ene-3-ones SUN PHARMA ADVANCED RESEARCH COMPANY LTD. 2014-07-22 — — US disclosed
US-20090054388-A1 NOVEL 11 BETA-HYDROXYANDROSTA-4-ENE-3-ONES SUN PHARMA ADVANCE RESEARCH COMPANY (IN) 2009-02-26 — — 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-20090054388-A1 NOVEL 11 BETA-HYDROXYANDROSTA-4-ENE-3-ONES HSD11B1, HSD3B1, HSD3B2 NR3C1 37/4885PGR 146/4885AR 22/4885
US-20160102117-A1 METHODS FOR TREATMENT OF INFLAMMATORY CONDITIONS USING S-[4-(3- FLUORO-3-METHYLBUTYRYLOXY) BUT-2-YNYL] 6ALPHA, 9ALPHA-DIFLUORO-17ALPHA-(FURAN-2-YL) CARBONYLOXY-11BETA -HYDROXY-16ALPHA-METHYL-3-OXOANDROSTA-1,4-DIENE-17BETA - CARBOTHIOATE HSD17B11, HSD17B7, CYP17A1 NR3C1 16/4885PGR 1066/4885AR 403/4885

“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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