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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.54 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.54 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.54 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.54 |
| ▸ | TLR4 known ✓ | O00206 | 1/20 | 0.48 |
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.54 |
| ▸ | MAOB | P27338 | 6/20 | 0.53 |
| ▸ | MAOA | P21397 | 2/20 | 0.53 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.53 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.50 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.50 |
| ▸ | MGLL | Q99685 | 1/20 | 0.50 |
| ▸ | BCHE | P06276 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
| ▸ | AR | P10275 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28531509 | 0.87 | CA12 (0.57) | CA12CA1CA2CA4CA5A | |
| SCHEMBL1462243 | 0.83 | CA12 (0.70) | CA12CA1CA2CA4CA5A | |
| SCHEMBL9276364 | 0.83 | NR4A2 (0.58) | CA12CA1CA2CA4CA5A | |
| SCHEMBL3682884 | 0.83 | MAOB (0.54) | CA12CA1CA2CA4CA5A | |
| SCHEMBL1013923 | 0.83 | CA12 (0.69) | CA12CA1CA2CA4CA5A | |
| SCHEMBL6772311 | 0.81 | NR4A2 (0.56) | CA12CA1CA2CA4CA5A | |
| SCHEMBL30648584 | 0.81 | BCHE (0.54) | CA12CA1CA2CA4CA5A | |
| SCHEMBL28236411 | 0.79 | TP53 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30873024 | 0.78 | LMNA (0.55) | MAOBMAOANR4A2BCHELMNA | |
| SCHEMBL27182778 | 0.78 | LMNA (0.55) | MAOBMAOANR4A2BCHELMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-117736133-A | Pyrrole sulfonyl derivatives, preparation method and medical application thereof | 江苏柯菲平医药股份有限公司 | 2024-03-22 | — | — | CN | disclosed |
| WO-2012073249-A1 | A NOVEL PROCESS FOR THE PREPARATION OF 3-(BENZYLOXY)- BENZENETHIOL, A KEY INTERMEDIATE FOR THE PREPARATION OF PHARMACEUTICAL DRUGS. | ARCH PHARMALABS LIMITED (IN) | 2012-06-07 | — | — | WO | disclosed |
| US-6673824-B1 | HYPOTENSIVE AGENTS | BRISTOL-MYERS SQUIBB CO. | 2004-01-06 | — | — | US | disclosed |
| US-6107320-A | Phenyl sulfonamide endothelin antagonists | BRISTOL-MYERS SQUIBB CO. (US) | 2000-08-22 | — | — | US | disclosed |
| US-5514696-A | Phenyl sulfonamide endothelin antagonists | BRISTOL-MYERS SQUIBB CO. (US) | 1996-05-07 | — | — | US | disclosed |