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 | 2/20 | 0.34 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.34 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | GMNN | O75496 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | HBB | P68871 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | BBOX1 | O75936 | 3/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | ENPEP | Q07075 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5017074 | 0.84 | BBOX1 (0.50) | MAPTKDM4EALOX15ALDH1A1TSHR | |
| Acrylic Acid SCHEMBL30522767 | 0.82 | LMNA (0.37) | MAPTKDM4EALOX15LMNACA12 | |
| Acrylonitrile SCHEMBL31314966 | 0.82 | KDM4E (0.35) | MAPTKDM4EALOX15ALDH1A1TSHR | |
| Acrylamide SCHEMBL30423400 | 0.80 | ALDH1A1 (0.39) | MAPTKDM4EALOX15ALDH1A1TSHR | |
| SCHEMBL29284805 | 0.77 | KDM4E (0.48) | MAPTKDM4EALOX15ALDH1A1TSHR | |
| SCHEMBL29365878 | 0.74 | KDM4E (0.36) | MAPTKDM4EALOX15ALDH1A1TSHR | |
| SCHEMBL3982535 | 0.73 | ALDH1A1 (0.40) | MAPTALDH1A1TSHRCA12CA2 | |
| Sulfuric Acid SCHEMBL28277775 | 0.73 | CA12 (0.44) | MAPTKDM4EALOX15ALDH1A1TSHR | |
| SCHEMBL226338 | 0.72 | KDM4E (0.43) | MAPTKDM4EALOX15ALDH1A1TSHR | |
| SCHEMBL214687 | 0.71 | KDM4E (0.62) | MAPTKDM4EALOX15ALDH1A1TSHR |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104434566-B | Comprising acrylic acid（Ester）The composition and its preparation and preparation method of class/acryloyl nitrogen copolymer sodium | 顾葵 | 2017-06-23 | — | — | CN | disclosed |
| EP-1527051-B1 | PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS | ASTRAZENECA AB (SE) | 2012-09-12 | — | — | EP | disclosed |
| CN-102652011-A | Emulsifier-free, polymer-stabilized foam formulations | NEUBOURG SKIN CARE GMBH & CO KG | 2012-08-29 | — | — | CN | disclosed |
| US-8106063-B2 | Pyrimidyl sulphone amide derivatives as chemokine receptor modulators | ASTRAZENECA AB (SE) | 2012-01-31 | — | — | US | disclosed |
| US-20100063079-A1 | Pyrimidyl Sulphone Amide Derivatives as Chemokine Receptor Modulators | ASTRAZENECA AB (SE) | 2010-03-11 | — | — | US | disclosed |
| US-7582644-B2 | Pyrimidyl sulphone amide derivatives as chemokine receptor modulators | ASTRAZENECA AB (SE) | 2009-09-01 | — | — | US | disclosed |
| US-20060025432-A1 | Pyrimidyl sulphone amide derivatives as chemokine receptor modulators | ASTRAZENECA AB (SE) | 2006-02-02 | — | — | US | disclosed |
| EP-1527051-A1 | PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS | Astrazeneca AB (SE) | 2005-05-04 | — | — | EP | disclosed |
| WO-2004011443-A1 | PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS | ASTRAZENECA AB (SE) | 2004-02-05 | — | — | WO | 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-20100063079-A1 | Pyrimidyl Sulphone Amide Derivatives as Chemokine Receptor Modulators | ACKR3, GPR17, CCL11 | CA12 3828/4885CA2 2408/4885CA4 2932/4885 |
| US-20060025432-A1 | Pyrimidyl sulphone amide derivatives as chemokine receptor modulators | ACKR3, GPR17, CCL11 | CA12 3828/4885CA2 2408/4885CA4 2932/4885 |
“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.