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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 4/20 | 0.67 |
| ▸ | CA12 known ✓ | O43570 | 3/20 | 0.67 |
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.67 |
| ▸ | CA4 known ✓ | P22748 | 3/20 | 0.67 |
| ▸ | CA6 | P23280 | 3/20 | 0.67 |
| ▸ | CA5A | P35218 | 3/20 | 0.67 |
| ▸ | CA7 | P43166 | 3/20 | 0.67 |
| ▸ | CA9 | Q16790 | 3/20 | 0.67 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.67 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.67 |
| ▸ | F2 | P00734 | 2/20 | 0.64 |
| ▸ | TMPRSS4 | Q9NRS4 | 2/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | TP53 | P04637 | 1/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | HTR6 | P50406 | 3/20 | 0.60 |
| ▸ | TAAR1 | Q96RJ0 | 7/20 | 0.46 |
| ▸ | HTR2A | P28223 | 3/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL11742565 | 0.96 | CA2 (0.67) | CA2CA12CA1CA4CA6 | |
| SCHEMBL8954100 | 0.88 | CA2 (0.52) | CA2CA12CA1CA4CA6 | |
| SCHEMBL9390742 | 0.86 | CA2 (0.50) | CA2CA12CA1CA4CA6 | |
| SCHEMBL9387350 | 0.84 | CA2 (0.50) | CA2CA12CA1CA4CA6 | |
| SCHEMBL9388346 | 0.84 | CA2 (0.50) | CA2CA12CA1CA4CA6 | |
| SCHEMBL9390764 | 0.84 | CA2 (0.50) | CA2CA12CA1CA4CA6 | |
| SCHEMBL9391274 | 0.84 | CA2 (0.50) | CA2CA12CA1CA4CA6 | |
| SCHEMBL9391252 | 0.84 | CA2 (0.50) | CA2CA12CA1CA4CA6 | |
| SCHEMBL9387230 | 0.84 | CA2 (0.50) | CA2CA12CA1CA4CA6 | |
| SCHEMBL9387240 | 0.84 | CA2 (0.50) | CA2CA12CA1CA4CA6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1994002497-A1 | SULFO-DERIVATIVES OF ADENOSINE | THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1994-02-03 | — | — | WO | claimed |
| US-20090076140-A1 | PHARMACEUTICAL COMPOSITIONS CONTAINING SULPHONIC ACID DERIVATIVES | ITALFARMACO, S. A. (ES) | 2009-03-19 | — | — | US | disclosed |
| US-20060160849-A1 | Pharmaceutical compositions containing sulphonic acid derivatives | ITALFARMACO, S.A. (ES) | 2006-07-20 | — | — | US | disclosed |
| EP-1602644-A1 | PHARMACEUTICAL COMPOSITIONS CONTAINING SULPHONIC ACID DERIVATIVES | Italfarmaco, S.A. (ES) | 2005-12-07 | — | — | EP | 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 (2 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-20090076140-A1 | PHARMACEUTICAL COMPOSITIONS CONTAINING SULPHONIC ACID DERIVATIVES | SUCNR1, NR1H4, CYP2B6 | CA2 348/4885CA12 250/4885CA1 902/4885 |
| US-20060160849-A1 | Pharmaceutical compositions containing sulphonic acid derivatives | SUCNR1, NR1H4, CYP2B6 | CA2 329/4885CA12 269/4885CA1 880/4885 |
“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.