Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR1 known ✓ | Q9Y271 | 20/20 | 0.67 |
| ▸ | CYSLTR2 | Q9NS75 | 20/20 | 0.67 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | FPR1 | P21462 | 1/20 | 0.55 |
| ▸ | GPR183 | P32249 | 1/20 | 0.55 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2125184 | 1.00 | CYSLTR2 (0.67) | CYSLTR2CYSLTR1CYP2C8CYP2C9FPR1 | |
| SCHEMBL589317 | 0.94 | CYSLTR2 (0.75) | CYSLTR2CYSLTR1 | |
| SCHEMBL5971548 | 0.94 | CYSLTR2 (0.75) | CYSLTR2CYSLTR1 | |
| SCHEMBL209124 | 0.94 | CYSLTR2 (0.75) | CYSLTR2CYSLTR1 | |
| SCHEMBL227362 | 0.94 | CYSLTR2 (0.75) | CYSLTR2CYSLTR1 | |
| SCHEMBL3263812 | 0.89 | CYSLTR2 (0.69) | CYSLTR2CYSLTR1 | |
| SCHEMBL3263816 | 0.89 | CYSLTR2 (0.69) | CYSLTR2CYSLTR1 | |
| SCHEMBL2124624 | 0.87 | CYSLTR2 (0.66) | CYSLTR2CYSLTR1 | |
| SCHEMBL8127536 | 0.85 | CYSLTR2 (0.88) | CYSLTR2CYSLTR1CYP2C8CYP2C9FPR1 | |
| SCHEMBL9250136 | 0.85 | CYSLTR2 (0.88) | CYSLTR2CYSLTR1CYP2C8CYP2C9FPR1 |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8524697-B2 | C20-C21 substituted glucocorticoid receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2013-09-03 | — | — | US | disclosed |
| US-20120171126-A1 | NOVEL [3,2-c] HETEROARYL STEROIDS AS GLUCOCORTICOID RECEPTOR AGONISTS COMPOSITIONS AND USES THEREOF | PURAKKATTLE BIJU J (US) | 2012-07-05 | — | — | US | disclosed |
| EP-2443134-A2 | NOVEL [3,2-c]HETEROARYL STEROIDS AS GLUCOCORTICOID RECEPTOR AGONISTS, COMPOSITIONS AND USES THEREOF | Schering Corporation (US) | 2012-04-25 | — | — | EP | disclosed |
| US-20110262368-A1 | C21 THIOETHERS AS GLUCOCORTICOID RECEPTOR AGONISTS | SCHERING CORPORATION (US) | 2011-10-27 | — | — | US | disclosed |
| US-20110182828-A1 | C20-C21 SUBSTITUTED GLUCOCORTICOID RECEPTOR AGONISTS | SCHERING CORPORATION (US) | 2011-07-28 | — | — | US | disclosed |
| WO-2010147947-A2 | NOVEL [3,2-c] HETEROARYL STEROIDS AS GLUCOCORTICOID RECEPTOR AGONISTS, COMPOSITIONS AND USES THEREOF | SCHERING CORPORATION (US) | 2010-12-23 | — | — | WO | disclosed |
| US-20100144610-A1 | PHARMACEUTICAL FORMULATIONS | SCHERING CORPORATION | 2010-06-10 | — | — | US | disclosed |
| US-20090238771-A1 | PHARMACEUTICAL FORMULATIONS | SCHERING CORPORATION | 2009-09-24 | — | — | US | disclosed |
| US-20090221541-A1 | PHARMACEUTICAL FORMULATIONS | SCHERING CORPORATION | 2009-09-03 | — | — | US | disclosed |
| EP-1981545-A2 | PHARMACEUTICAL FORMULATIONS | SCHERING CORPORATION (US) | 2008-10-22 | — | — | EP | disclosed |
| WO-2007095039-A2 | PHARMACEUTICAL FORMULATIONS | SCHERING CORPORATION (US) | 2007-08-23 | — | — | WO | disclosed |
| EP-1819329-A2 | PHARMACEUTICAL FORMULATIONS COMPRISING PLECONARIL FOR THE TREATMENT OF AIRWAY DISEASES | Schering Corporation (US) | 2007-08-22 | — | — | EP | disclosed |
| EP-1817034-A1 | M1 AND/OR M3 RECEPTOR ANTAGONISTS IN COMBINATION WITH OTHER ACTIVES FOR TREATING RESPIRATORY DISORDERS | SCHERING CORPORATION (US) | 2007-08-15 | — | — | EP | disclosed |
| US-20060110449-A1 | Pharmaceutical composition | SCHERING CORPORATION | 2006-05-25 | — | — | US | disclosed |
| WO-2006047427-A1 | M1 AND/OR M3 RECEPTOR ANTAGONISTS IN COMBINATION WITH OTHER ACTIVES FOR TREATING RESPIRATORY DISORDERS | SCHERING CORPORATION (US) | 2006-05-04 | — | — | WO | disclosed |
| WO-2006017505-A2 | PHARMACEUTICAL FORMULATIONS COMPRISING PLECONARIL FOR THE TREATMENT OF AIRWAY DISEASES | SCHERING CORPORATION (US) | 2006-02-16 | — | — | WO | disclosed |
| US-20060030550-A1 | Pharmaceutical formulations | SCHERING CORPORATION | 2006-02-09 | — | — | US | disclosed |
| US-20020061902-A1 | Treatment method | SCHERING CORPORATION | 2002-05-23 | — | — | US | disclosed |
| EP-1041990-A1 | COMPOSITION FOR TREATING RESPIRATORY AND SKIN DISEASES, COMPRISING AT LEAST ONE LEUKOTRIENE ANTAGONIST AND AT LEAST ONE ANTIHISTAMINE | SCHERING CORPORATION (US) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999032125-A1 | COMPOSITION FOR TREATING RESPIRATORY AND SKIN DISEASES, COMPRISING AT LEAST ONE LEUKOTRIENE ANTAGONIST AND AT LEAST ONE ANTIHISTAMINE | SCHERING CORPORATION (US) | 1999-07-01 | — | — | 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 (3 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110262368-A1 | C21 THIOETHERS AS GLUCOCORTICOID RECEPTOR AGONISTS | NR3C1, CYP4A11, NR3C2 | CYSLTR1 18/4885CYSLTR2 48/4885CYP2C8 243/4885 |
| US-20120171126-A1 | NOVEL [3,2-c] HETEROARYL STEROIDS AS GLUCOCORTICOID RECEPTOR AGONISTS COMPOSITIONS AND USES THEREOF | NR3C1, NR3C2, MC2R | CYSLTR1 97/4885CYSLTR2 58/4885CYP2C8 268/4885 |
| US-20110182828-A1 | C20-C21 SUBSTITUTED GLUCOCORTICOID RECEPTOR AGONISTS | NR3C1, MC2R, NR3C2 | CYSLTR1 34/4885CYSLTR2 108/4885CYP2C8 442/4885 |
“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.