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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.44 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.44 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.44 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | ADAM17 | P78536 | 18/20 | 0.44 |
| ▸ | MMP9 | P14780 | 12/20 | 0.44 |
| ▸ | MMP13 | P45452 | 12/20 | 0.44 |
| ▸ | MMP1 | P03956 | 11/20 | 0.44 |
| ▸ | ADAM10 | O14672 | 2/20 | 0.42 |
| ▸ | MMP3 | P08254 | 2/20 | 0.42 |
| ▸ | ADAM9 | Q13443 | 2/20 | 0.42 |
| ▸ | MMP2 | P08253 | 4/20 | 0.41 |
| ▸ | MMP8 | P22894 | 3/20 | 0.41 |
| ▸ | MMP14 | P50281 | 1/20 | 0.41 |
| ▸ | MMP7 | P09237 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5657755 | 0.85 | ADAM17 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5659508 | 0.83 | ADAM17 (0.45) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6409762 | 0.83 | ADAM17 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6407732 | 0.83 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6275169 | 0.83 | CA12 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6261998 | 0.81 | ADAM17 (0.63) | ADAM17MMP9MMP13MMP1MMP2 | |
| SCHEMBL10578255 | 0.75 | ADAM17 (0.46) | ADAM17MMP9MMP13MMP1ADAM10 | |
| SCHEMBL8381610 | 0.75 | ALDH1A1 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6502952 | 0.75 | CA12 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10572381 | 0.73 | CA12 (0.44) | CA12CA1CA2CA7CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7179911-B2 | coupling a silyl ester of (3S)-2,2-dimethyl-tetrahydro-2H-1,4-thiazine-3-carboxylic acid with 6,4-[4-(chlorosulfonyl)phenoxy]-2-butynyl acetate, hydrolyzing the silyl ester | WYETH (US) | 2007-02-20 | — | — | US | disclosed |
| WO-2005123705-A1 | METHOD FOR PREPARING HYDROXAMIC ACIDS | WYETH (US) | 2005-12-29 | — | — | WO | disclosed |
| US-20050272928-A1 | Method for preparing hydroxamic acids | WYETH (US) | 2005-12-08 | — | — | 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-20050272928-A1 | Method for preparing hydroxamic acids | H1-5, HDAC5, PGA5 | CA12 168/4885CA1 23/4885CA2 205/4885 |
“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.