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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 17/20 | 0.58 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.58 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.55 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL402626 | 0.93 | S1PR1 (0.60) | S1PR1S1PR3S1PR5S1PR4ALOX15 | |
| SCHEMBL404581 | 0.88 | S1PR1 (0.54) | S1PR1S1PR3S1PR5S1PR4ALOX15 | |
| SCHEMBL401498 | 0.88 | S1PR1 (0.62) | S1PR1S1PR3S1PR5S1PR4ALOX15 | |
| SCHEMBL403521 | 0.85 | S1PR1 (0.58) | S1PR1S1PR3S1PR5S1PR4ALOX15 | |
| SCHEMBL10113635 | 0.83 | S1PR1 (0.55) | S1PR1S1PR3S1PR5S1PR4ALOX15 | |
| SCHEMBL1845783 | 0.81 | S1PR1 (0.53) | S1PR1S1PR3S1PR5S1PR4ALOX15 | |
| SCHEMBL404372 | 0.80 | S1PR1 (0.58) | S1PR1S1PR3S1PR5S1PR4ALOX15 | |
| SCHEMBL27787936 | 0.79 | S1PR1 (0.60) | S1PR1S1PR3S1PR5S1PR4ALOX15 | |
| SCHEMBL403020 | 0.79 | S1PR1 (0.57) | S1PR1S1PR3S1PR5S1PR4ALOX15 | |
| SCHEMBL400171 | 0.79 | S1PR1 (0.56) | S1PR1S1PR3S1PR5S1PR4ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101611033-B | Indole derivatives as S1P1 receptor agonists | GLAXO GROUP LTD | 2012-10-31 | — | — | CN | disclosed |
| EP-2206710-B1 | Indole derivatives as S1P1 receptor agonists | GLAXO GROUP LTD (GB) | 2012-07-04 | — | — | EP | disclosed |
| US-8101775-B2 | Indole derivatives as S1P1 Receptor | GLAXO GROUP LIMITED (GB) | 2012-01-24 | — | — | US | disclosed |
| EP-2091949-B1 | INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS | GLAXO GROUP LTD (GB) | 2011-05-18 | — | — | EP | disclosed |
| EP-2206710-A1 | Indole derivatives as S1P1 receptor agonists | Glaxo Group Limited (GB) | 2010-07-14 | — | — | EP | disclosed |
| US-20100113796-A1 | INDOLE DERIVATIVES AS S1P1 RECEPTOR | GLAXO GROUP LIMITED | 2010-05-06 | — | — | US | disclosed |
| CN-101611033-A | Indole derivatives as S1P1 receptor agonists | GLAXO GROUP LTD (GB) | 2009-12-23 | — | — | CN | 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-20100113796-A1 | INDOLE DERIVATIVES AS S1P1 RECEPTOR | S1PR1, S1PR3, S1PR2 | S1PR1 1/4885S1PR3 2/4885S1PR5 4/4885 |
“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.