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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 18/20 | 0.64 |
| ▸ | PTGS1 known ✓ | P23219 | 5/20 | 0.64 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.50 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.50 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.50 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6986154 | 0.85 | PTGS2 (0.60) | PTGS2PTGS1MAPK13MAPK12MAPK11 | |
| SCHEMBL6782961 | 0.81 | PTGS2 (0.71) | PTGS2PTGS1 | |
| SCHEMBL19953044 | 0.81 | PTGS2 (0.68) | PTGS2PTGS1 | |
| SCHEMBL6179878 | 0.78 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL6181102 | 0.78 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL15208252 | 0.70 | PTGS2 (0.72) | PTGS2PTGS1 | |
| SCHEMBL161233 | 0.70 | CA1 (0.41) | PTGS1 | |
| SCHEMBL28797653 | 0.69 | PTGS2 (0.54) | PTGS2PTGS1 | |
| SCHEMBL6362727 | 0.68 | MAPK13 (0.53) | PTGS2PTGS1MAPK13MAPK12MAPK11 | |
| SCHEMBL6180868 | 0.68 | PTGS2 (0.55) | PTGS2PTGS1MAPK13MAPK12MAPK11 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030114456-A1 | Novel heterocylic compounds with anti-inflamatory activity | J. URIACH & CIA, S.A. (ES) | 2003-06-19 | — | — | US | disclosed |
| EP-1281709-A1 | NOVEL HETEROCYCLIC COMPOUNDS WITH ANTI-INFLAMMATORY ACTIVITY | J. URIACH & CIA. S.A. (ES) | 2003-02-05 | — | — | 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 (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-20030114456-A1 | Novel heterocylic compounds with anti-inflamatory activity | IL1B, IL1A, NFKBIA | PTGS2 23/4885PTGS1 7/4885MAPK13 1800/4885 |
“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.