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 | |
|---|---|---|---|---|
| ▸ | BRAF known ✓ | P15056 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 9/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.47 |
| ▸ | RAB9A | P51151 | 7/20 | 0.47 |
| ▸ | NPC1 | O15118 | 7/20 | 0.47 |
| ▸ | TP53 | P04637 | 5/20 | 0.47 |
| ▸ | GAA | P10253 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KLK7 | P49862 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 7/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5499030 | 0.90 | MAPT (0.49) | MAPTSMN1; SMN2RAB9ANPC1TP53 | |
| SCHEMBL27584176 | 0.85 | MAPT (0.50) | MAPTSMN1; SMN2RAB9ANPC1TP53 | |
| SCHEMBL5493296 | 0.80 | RAB9A (0.54) | MAPTSMN1; SMN2RAB9ANPC1TP53 | |
| SCHEMBL5488754 | 0.79 | CCR2 (0.62) | MAPTSMN1; SMN2RAB9ANPC1TP53 | |
| SCHEMBL5491219 | 0.79 | RAB9A (0.48) | MAPTSMN1; SMN2RAB9ANPC1TP53 | |
| SCHEMBL27601764 | 0.79 | MAPT (0.55) | MAPTSMN1; SMN2RAB9ANPC1TP53 | |
| SCHEMBL5491206 | 0.76 | NPC1 (0.52) | MAPTSMN1; SMN2RAB9ANPC1TP53 | |
| SCHEMBL6503011 | 0.75 | MAPT (0.52) | MAPTSMN1; SMN2RAB9ANPC1TP53 | |
| SCHEMBL5491312 | 0.75 | RAB9A (0.49) | MAPTSMN1; SMN2RAB9ANPC1TP53 | |
| SCHEMBL5491191 | 0.75 | MAPT (0.56) | MAPTSMN1; SMN2RAB9ANPC1TP53 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7297696-B2 | Antagonists of MCP-1 function and methods of use thereof | TELIK, INC. (US) | 2007-11-20 | — | — | US | disclosed |
| EP-1363897-B1 | ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF | TELIK INC (US) | 2005-12-21 | — | — | EP | disclosed |
| US-20050054668-A1 | Antagonists of MCP-1 function and methods of use thereof | LABORDE EDGARDO (US) | 2005-03-10 | — | — | US | disclosed |
| US-6809113-B2 | FOR THERAPY OF ARTHRITIS, ASTHMA, ATHEROSCLEROSIS, DIABETIC NEPHROPATHY, INFLAMMATORY BOWEL DISEASE, CROHN'S DISEASE, MULTIPLE SCLEROSIS, NEPHRITIS, PANCREATITIS, PULMONARY FIBROSIS, PSORIASIS, RESTENOSIS TRANSPLANT REJECTION | TELIK, INC. | 2004-10-26 | — | — | US | disclosed |
| CN-1494539-A | Antagonists of MCP-1 function and methods of use thereof | ̩ | 2004-05-05 | — | — | CN | disclosed |
| EP-1363897-A2 | ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF | TELIK, INC. (US) | 2003-11-26 | — | — | EP | disclosed |
| WO-2002070509-A2 | ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF | TELIK, INC. (US) | 2002-09-12 | — | — | 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-20050054668-A1 | Antagonists of MCP-1 function and methods of use thereof | CCR2, CCR1, CCL2 | BRAF 1597/4885MAPT 1663/4885SMN1; SMN2 3141/4885 |
“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.