SCHEMBL111403

SCHEMBL111403

Cc1ncsc1C(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 14/20 0.73
▸ PGR P06401 5/20 0.73
▸ AR P10275 5/20 0.73
▸ CYP3A4 P08684 4/20 0.73
▸ NR3C2 P08235 2/20 0.73
▸ ADORA3 P0DMS8 2/20 0.73
▸ NR1I2 O75469 1/20 0.73
▸ CNR1 P21554 1/20 0.71
▸ PTGS1 P23219 1/20 0.71
▸ MEN1 O00255 1/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ HIF1A Q16665 4/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CHRM1 P11229 1/20 0.57
▸ ADRA1A P35348 1/20 0.57
▸ ABCB11 O95342 1/20 0.53
▸ MAPT P10636 1/20 0.53

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
SCHEMBL4728176 1.00 NR3C1 (0.73) NR3C1PGRARCYP3A4NR3C2
SCHEMBL3223453 1.00 NR3C1 (0.73) NR3C1PGRARCYP3A4NR3C2
SCHEMBL5700595 1.00 NR3C1 (0.73) NR3C1PGRARCYP3A4NR3C2
SCHEMBL4654367 1.00 NR3C1 (0.73) NR3C1PGRARCYP3A4NR3C2
SCHEMBL5495390 1.00 NR3C1 (0.73) NR3C1PGRARCYP3A4NR3C2
SCHEMBL4156578 1.00 NR3C1 (0.73) NR3C1PGRARCYP3A4NR3C2
SCHEMBL4728177 1.00 NR3C1 (0.73) NR3C1PGRARCYP3A4NR3C2
SCHEMBL4826587 1.00 NR3C1 (0.73) NR3C1PGRARCYP3A4NR3C2
SCHEMBL409204 1.00 NR3C1 (0.73) NR3C1PGRARCYP3A4NR3C2
SCHEMBL4165771 1.00 NR3C1 (0.73) NR3C1PGRARCYP3A4NR3C2

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 892 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216353-A1 METHOD OF TREATMENT FOR PREVENTION OF GLUCOCORTICOID TOXICITY AND/OR ENHANCEMENT OF MUSCLE REGENERATION VIA NEUTROPHIL ELASTASE INHIBITION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-07-04 — — US claimed
US-20210315873-A1 METHOD OF TREATMENT FOR PREVENTION OF GLUCOCORTICOID TOXICITY AND/OR ENHANCEMENT OF MUSCLE REGENERATION VIA NEUTROPHIL ELASTASE INHIBITION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-10-14 — — US claimed
US-8752543-B2 Fluid dispensing device GLAXO GROUP LIMITED (GB) 2014-06-17 — — US claimed
US-8338424-B2 Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-12-25 — — US claimed
US-20120219509-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2012-08-30 — — US claimed
EP-1699512-B1 A FLUID DISPENSING DEVICE GLAXO GROUP LTD (GB) 2012-06-20 — — EP claimed
EP-1471895-B2 FORMULATION FOR INHALATION COMPRISING A GLUCOCORTICOID AND A BETA 2-ADRENORECEPTOR AGONIST GLAXO GROUP LTD (GB) 2012-03-14 — — EP claimed
EP-1706371-B1 ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE INC (US) 2011-04-06 — — EP claimed
US-7846973-B2 Chemical process and new crystalline form THERAVANCE, INC. (US) 2010-12-07 — — US claimed
US-7798368-B2 Fluid dispensing device GLAXO GROUP LIMITED (GB) 2010-09-21 — — US claimed
WO-2004012799-A2 A FLUID DISPENSING DEVICE GLAXO GROUP LIMITED (GB) 2004-02-12 — — WO claimed
WO-2004011070-A1 MEDICAMENT DISPENSER GLAXO GROUP LIMITED (GB) 2004-02-05 — — WO claimed
US-20030229058-A1 Aryl aniline beta2 adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2003-12-11 — — US claimed
WO-2003095006-A2 A FLUID DISPENSING DEVICE GLAXO GROUP LIMITED (GB) 2003-11-20 — — WO claimed
WO-2003066033-A1 FORMULATION FOR INHALATION COMPRISING A GLUCOCORTICOID AND A BETA 2-ADRENORECEPTOR AGONIST GLAXO GROUP LIMITED (GB) 2003-08-14 — — WO claimed
US-20030092690-A1 Novel anti-inflammatory androstane derivatives GLAXOSMITHKLINE INTELLECTUAL PROPERTY MANAGEMENT LIMITED (GB) 2003-05-15 — — US claimed
EP-1305330-A1 17.BETA.-CARBOTHIOATE 17.ALPHA.-ARYLCARBONYLOXYLOXY ANDROSTANE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 2003-05-02 — — EP claimed
US-6537983-B1 An ene or diene steroid inhaler for treating asthma, once-per-day dosing SMITHKLINE BEECHAM CORPORATION 2003-03-25 — — US claimed
US-20030045512-A1 NOVEL ANTI-INFLAMMATORY ANDROSTANE DERIVATIVES GLAXOSMITHKLINE INTELLECTUAL PROPERTY MANAGEMENT LIMITED (GB) 2003-03-06 — — US claimed
WO-2002012266-A1 17.BETA.-CARBOTHIOATE 17.ALPHA.-ARYLCARBONYLOXYLOXY ANDROSTANE DERIVATIVE AS ANTI-INFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 2002-02-14 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20030092690-A1 Novel anti-inflammatory androstane derivatives ADRB1, ADRB2, ADRB3 NR3C1 7/4885PGR 400/4885AR 34/4885
US-20030229058-A1 Aryl aniline beta2 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 NR3C1 226/4885PGR 992/4885AR 101/4885
US-20120219509-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 NR3C1 509/4885PGR 1127/4885AR 864/4885
US-20030045512-A1 NOVEL ANTI-INFLAMMATORY ANDROSTANE DERIVATIVES ADRB1, NR3C2, NR3C1 NR3C1 3/4885PGR 473/4885AR 28/4885

“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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