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 | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 7/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.59 |
| ▸ | NPC1 | O15118 | 6/20 | 0.59 |
| ▸ | RAB9A | P51151 | 6/20 | 0.59 |
| ▸ | MEN1 | O00255 | 5/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.59 |
| ▸ | HPGD | P15428 | 3/20 | 0.59 |
| ▸ | MAPT | P10636 | 6/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | CCR2 | P41597 | 3/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.58 |
| ▸ | STAT1 | P42224 | 1/20 | 0.58 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.58 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.58 |
| ▸ | RELA | Q04206 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL5493777 | 0.88 | CCR2 (0.65) | MAOBSMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL6180924 | 0.87 | KMT2A (0.65) | MAOBSMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL5493371 | 0.86 | KMT2A (0.64) | MAOBSMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL5491079 | 0.85 | CCR2 (0.65) | MAOBSMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL5489348 | 0.78 | CCR2 (0.69) | MAOBSMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL5489349 | 0.78 | RAB9A (0.71) | MAOBSMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL5780638 | 0.78 | RAB9A (0.80) | SMN1; SMN2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL6180069 | 0.78 | CCR2 (0.64) | MAOBSMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL14364232 | 0.78 | CCR2 (0.64) | MAOBSMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL6180574 | 0.77 | CCR2 (0.68) | MAOBSMN1; SMN2NPC1RAB9AMEN1 |
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 4 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 |
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 | THRB 1888/4885MAOB 3302/4885SMN1; 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.