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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGK1 | P00558 | 2/20 | 0.40 |
| ▸ | PGK2 | P07205 | 2/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 8/20 | 0.34 |
| ▸ | PTPN2 | P17706 | 5/20 | 0.34 |
| ▸ | PTPN6 | P29350 | 5/20 | 0.34 |
| ▸ | PTPN11 | Q06124 | 4/20 | 0.34 |
| ▸ | PTPRB | P23467 | 3/20 | 0.34 |
| ▸ | PTPRC | P08575 | 2/20 | 0.34 |
| ▸ | CDC25A | P30304 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7660739 | 0.85 | PGK1 (0.59) | PGK1PGK2PTPN1PTPN2PTPN6 | |
| SCHEMBL7591720 | 0.84 | PGK1 (0.57) | PGK1PGK2PTPN1PTPN2PTPN6 | |
| SCHEMBL7595416 | 0.83 | PTPN1 (0.45) | PTPN1PTPN2PTPRC | |
| SCHEMBL7179735 | 0.75 | PTPN1 (0.56) | PGK1PGK2PTPN1PTPN2PTPN6 | |
| SCHEMBL7192731 | 0.70 | PTPN1 (0.34) | PTPN1 | |
| SCHEMBL7660736 | 0.70 | PGK1 (0.67) | PGK1PGK2PTPN1PTPN2PTPN6 | |
| SCHEMBL4316972 | 0.69 | PTPN1 (0.74) | PGK1PGK2PTPN1PTPN2PTPN6 | |
| SCHEMBL7188477 | 0.69 | PTPN1 (0.31) | PTPN1 | |
| SCHEMBL5163594 | 0.69 | PGK1 (0.59) | PGK1PGK2PTPN1PTPN2PTPN6 | |
| SCHEMBL7591715 | 0.68 | PGK1 (0.64) | PGK1PGK2PTPN1PTPN2PTPN6 |
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 |
|---|---|---|---|---|---|---|---|
| US-6498151-B2 | PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS | MERCK FROSST CANADA & CO. (CA) | 2002-12-24 | — | — | US | claimed |
| EP-1268494-A1 | SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS | Merck Frosst Canada & Co. (CA) | 2003-01-02 | — | — | EP | disclosed |
| 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 |
| WO-2001070753-A1 | SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2001-09-27 | — | — | 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 (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 | PGK1 615/4885PGK2 588/4885PTPN1 13/4885 |
“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.