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 | |
|---|---|---|---|---|
| ▸ | ADORA3 known ✓ | P0DMS8 | 2/20 | 0.73 |
| ▸ | ESR2 known ✓ | Q92731 | 2/20 | 0.67 |
| ▸ | NR3C1 known ✓ | P04150 | 2/20 | 0.67 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.64 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 1.00 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.83 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.83 |
| ▸ | STS | P08842 | 3/20 | 0.81 |
| ▸ | LMNA | P02545 | 5/20 | 0.75 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.75 |
| ▸ | ESR1 | P03372 | 5/20 | 0.73 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.73 |
| ▸ | PGR | P06401 | 2/20 | 0.73 |
| ▸ | AR | P10275 | 2/20 | 0.73 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.73 |
| ▸ | ATM | Q13315 | 2/20 | 0.73 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.73 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.73 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.73 |
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 | |
|---|---|---|---|---|
| SCHEMBL4966962 | 1.00 | KDM4E (1.00) | KDM4EABCC4ABCC1STSLMNA | |
| SCHEMBL9247669 | 0.98 | KDM4E (0.96) | KDM4EABCC4ABCC1STSLMNA | |
| SCHEMBL232797 | 0.91 | ABCC4 (1.00) | KDM4EABCC4ABCC1STSLMNA | |
| SCHEMBL29392632 | 0.91 | ABCC4 (1.00) | KDM4EABCC4ABCC1STSLMNA | |
| SCHEMBL30471686 | 0.91 | ABCC4 (1.00) | KDM4EABCC4ABCC1STSLMNA | |
| SCHEMBL232796 | 0.91 | ABCC4 (1.00) | KDM4EABCC4ABCC1STSLMNA | |
| E2Mate SCHEMBL10070158 | 0.90 | STS (1.00) | KDM4EABCC4ABCC1STSLMNA | |
| E2Mate SCHEMBL5151234 | 0.90 | STS (1.00) | KDM4EABCC4ABCC1STSLMNA | |
| E2Mate SCHEMBL5165269 | 0.90 | STS (1.00) | KDM4EABCC4ABCC1STSLMNA | |
| SCHEMBL20634998 | 0.90 | ABCC4 (0.83) | KDM4EABCC4ABCC1STSLMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008100769-A2 | PROCESS FOR SELECTIVE SULFATION OF AROMATIC HYDROXYL GROUPS | WYETH (US) | 2008-08-21 | — | — | WO | claimed |
| US-20080194533-A1 | PROCESS FOR SELECTIVE SULFATION OF AROMATIC HYDROXYL GROUPS | WYETH (US) | 2008-08-14 | — | — | US | claimed |
| US-20110189239-A1 | Dermal Delivery Compositions Comprising Active Agent-Calcium Phosphate Particle Complexes and Methods of Using the Same | LABORATORY SKIN CARE, INC. | 2011-08-04 | — | — | US | disclosed |
| WO-2008100769-A2 | PROCESS FOR SELECTIVE SULFATION OF AROMATIC HYDROXYL GROUPS | WYETH (US) | 2008-08-21 | — | — | WO | disclosed |
| US-20080194533-A1 | PROCESS FOR SELECTIVE SULFATION OF AROMATIC HYDROXYL GROUPS | WYETH (US) | 2008-08-14 | — | — | 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-20080194533-A1 | PROCESS FOR SELECTIVE SULFATION OF AROMATIC HYDROXYL GROUPS | SULT1A1, CYP21A2, SULT2A1 | ADORA3 1907/4885ESR2 10/4885NR3C1 1871/4885 |
“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.