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 | 1/20 | 0.32 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.32 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 8/20 | 0.46 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | PTPRC | P08575 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 3/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 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 | |
|---|---|---|---|---|
| SCHEMBL7183009 | 0.86 | PTPN1 (0.50) | PTPN1PTPN2PTPRCMAOBMAOA | |
| SCHEMBL7599750 | 0.86 | PTPN1 (0.50) | PTPN1PTPN2HTTPTPRCCA2 | |
| SCHEMBL7598353 | 0.86 | PTPN1 (0.59) | PTPN1PTPN2HTTPTPRCPTPN5 | |
| SCHEMBL7193733 | 0.85 | PTPN1 (0.49) | PTPN1PTPN2PTPRCMAOBMAOA | |
| SCHEMBL7592988 | 0.84 | PTPN1 (0.48) | PTPN1PTPN2HTTPTPRCPTPN5 | |
| SCHEMBL7188722 | 0.83 | PTPN1 (0.55) | PTPN1PTPN2PTPRCMAOBMAOA | |
| SCHEMBL7594129 | 0.82 | PTPN1 (0.49) | PTPN1PTPN2PTPRCBCHEACHE | |
| SCHEMBL7193249 | 0.81 | PTPN1 (0.40) | PTPN1PTPN2PTPRC | |
| SCHEMBL7595416 | 0.80 | PTPN1 (0.45) | PTPN1PTPN2PTPRC | |
| SCHEMBL7187613 | 0.80 | PTPN1 (0.43) | PTPN1PTPN2PTPRC |
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-6498151-B2 | PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS | MERCK FROSST CANADA & CO. (CA) | 2002-12-24 | — | — | US | claimed |
| US-6498151-B2 | PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS | MERCK FROSST CANADA & CO. (CA) | 2002-12-24 | — | — | US | disclosed |
| US-20020091104-A1 | Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors | MERCK FROSST CANADA LTD. (CA) | 2002-07-11 | — | — | 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-20020091104-A1 | Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors | PTPRF, PTPRS, PTPRO | CA12 4526/4885CA1 4360/4885CA2 2577/4885 |
“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.