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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.41 |
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.41 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | TAS2R14 | Q9NYV8 | 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 | |
|---|---|---|---|---|
| SCHEMBL9066897 | 0.84 | CA2 (0.46) | ALDH1A1MEN1KMT2ALMNACA2 | |
| SCHEMBL776517 | 0.82 | ALDH1A1 (0.50) | ALDH1A1GAAMEN1KMT2ALMNA | |
| SCHEMBL294360 | 0.80 | ALDH1A1 (0.53) | ALDH1A1GAAMEN1KMT2ALMNA | |
| SCHEMBL2376651 | 0.80 | ALDH1A1 (0.49) | ALDH1A1GAAMEN1KMT2ALMNA | |
| SCHEMBL4004865 | 0.78 | TSHR (0.39) | ALDH1A1MEN1KMT2ALMNACA2 | |
| SCHEMBL2376646 | 0.78 | ALDH1A1 (0.47) | ALDH1A1GAAMEN1KMT2ALMNA | |
| SCHEMBL14378207 | 0.78 | GAA (0.47) | ALDH1A1GAAMEN1KMT2ALMNA | |
| SCHEMBL7899861 | 0.78 | FAAH (0.50) | ALDH1A1GAAMEN1KMT2ALMNA | |
| SCHEMBL30297591 | 0.78 | CA2 (0.50) | ALDH1A1GAAMEN1KMT2ALMNA | |
| SCHEMBL1428960 | 0.78 | ALDH1A1 (0.47) | ALDH1A1GAAMEN1KMT2ALMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1718605-B1 | PROCESSES FOR THE PREPARATION OF ARYL-AND HETEROARYL-ALKYLSULFONYL HALIDES | WYETH CORP (US) | 2009-06-17 | — | — | EP | disclosed |
| US-7321061-B2 | Processes for the preparation of aryl- and heteroaryl-alkylsulfonyl halides | WYETH (US) | 2008-01-22 | — | — | US | disclosed |
| EP-1718605-A1 | PROCESSES FOR THE PREPARATION OF ARYL-AND HETEROARYL-ALKYLSULFONYL HALIDES | Wyeth (US) | 2006-11-08 | — | — | EP | disclosed |
| WO-2005082843-A1 | PROCESSES FOR THE PREPARATION OF ARYL-AND HETEROARYL-ALKYLSULFONYL HALIDES | WYETH (US) | 2005-09-09 | — | — | WO | disclosed |
| US-20050187408-A1 | Processes for the preparation of aryl-and heteroaryl-alkylsulfonyl halides | WYETH (US) | 2005-08-25 | — | — | 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 (1 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-20050187408-A1 | Processes for the preparation of aryl-and heteroaryl-alkylsulfonyl halides | ARSA, AHR, STS | CA2 2862/4885CA12 4528/4885PTGS1 3286/4885 |
“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.