Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CACNA1B | Q00975 | 4/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CCR2 | P41597 | 1/20 | 0.40 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | FABP4 | P15090 | 2/20 | 0.39 |
| ▸ | FABP5 | Q01469 | 2/20 | 0.39 |
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.39 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4312860 | 0.85 | KEAP1 (0.47) | KEAP1CES2CES1LMNAALDH1A1 | |
| SCHEMBL4444797 | 0.85 | KEAP1 (0.55) | KEAP1CES2CES1LMNAALDH1A1 | |
| SCHEMBL3526722 | 0.81 | KEAP1 (0.56) | KEAP1CES2CES1LMNAALDH1A1 | |
| SCHEMBL3526612 | 0.81 | KEAP1 (0.52) | KEAP1CES2CES1LMNACCR2 | |
| SCHEMBL1110811 | 0.81 | CDK1 (0.48) | CACNA1BCCR2KDM4E | |
| SCHEMBL4892961 | 0.79 | CA12 (0.53) | LMNABCAT2ALDH1A1MAPK1 | |
| SCHEMBL4892959 | 0.79 | LMNA (0.43) | LMNABCAT2ALDH1A1MAPK1 | |
| SCHEMBL12302140 | 0.79 | CSNK2A1 (0.55) | LMNABCAT2ALDH1A1MAPK1NOTUM | |
| SCHEMBL31046834 | 0.79 | WDR5 (0.40) | LMNABCAT2ALDH1A1MAPK1 | |
| SCHEMBL26580541 | 0.78 | KDM4E (0.52) | CES2LMNABCAT2ALDH1A1FABP4 |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9051296-B2 | Aryl carboxamide derivatives as TTX-S blockers | RAQUALIA PHARMA INC. (JP) | 2015-06-09 | — | — | US | disclosed |
| US-9051296-B2 | Aryl carboxamide derivatives as TTX-S blockers | RAQUALIA PHARMA INC. (JP) | 2015-06-09 | — | — | US | disclosed |
| EP-2205083-B1 | Substituted aryl sulfone derivatives as calcium channel blockers | MERCK SHARP & DOHME (US) | 2013-07-17 | — | — | EP | disclosed |
| US-20130040932-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | NEUROMED PHARMACEUTICALS LTD. (CA) | 2013-02-14 | — | — | US | disclosed |
| US-8304434-B2 | Substituted aryl sulfone derivatives as calcium channel blockers | MERCK SHARP & DOHME CORP. (US) | 2012-11-06 | — | — | US | disclosed |
| US-20120232052-A1 | ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS | RAQUALIA PHARMA INC. (JP) | 2012-09-13 | — | — | US | disclosed |
| US-20120232052-A1 | ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS | RAQUALIA PHARMA INC. (JP) | 2012-09-13 | — | — | US | disclosed |
| US-20100210620-A1 | Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers | SCHERING CORPORATION | 2010-08-19 | — | — | US | disclosed |
| EP-2205083-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | Merck Sharp & Dohme Corp. (US) | 2010-07-14 | — | — | EP | disclosed |
| WO-2009045382-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2009-04-09 | — | — | WO | disclosed |
| US-5859283-A | TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE | RHONE-POULENC AGRICULTURE LIMITED (GB) | 1999-01-12 | — | — | US | disclosed |
| US-5747424-A | HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT | RHONE-POULENC AGRICULTURE LTD. (GB) | 1998-05-05 | — | — | US | disclosed |
| US-5656573-A | Herbicidal 4-substituted isoxazoles | RHONE-POULENC AGRICULTURE LTD. (GB) | 1997-08-12 | — | — | US | disclosed |
| US-5650533-A | Intermediates to herbicidal 4-substituted isoxazoles | RHONE-POULENC AGRICULTURE LTD. (GB) | 1997-07-22 | — | — | 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 (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-20100210620-A1 | Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers | TRPV1, TRPA1, CACNA1D | KEAP1 445/4885CES2 2315/4885CES1 1421/4885 |
| US-20130040932-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | TRPV1, TRPA1, CACNA1D | KEAP1 445/4885CES2 2315/4885CES1 1421/4885 |
| US-20120232052-A1 | ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS | SCN1B, SCN1A, SCN2B | KEAP1 2732/4885CES2 1626/4885CES1 1395/4885 |
“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.