SCHEMBL29700479

SCHEMBL29700479

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)OC(=O)CCCCCCCCCCCCCCC.[Na+]

nearest known ligand 0.67

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 18)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.67
▸ CNR1 P21554 3/20 0.62
▸ F2 P00734 1/20 0.53
▸ PRSS1 P07477 1/20 0.53
▸ PRSS2 P07478 1/20 0.53
▸ PRSS3 P35030 1/20 0.53
▸ TPSAB1 Q15661 1/20 0.53
▸ PLCD1 P51178 1/20 0.50
▸ TDP1 Q9NUW8 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NR5A2 O00482 1/20 0.47
▸ NR5A1 Q13285 1/20 0.47
▸ NAPEPLD Q6IQ20 1/20 0.47
▸ FOLH1 Q04609 2/20 0.46
▸ HPSE Q9Y251 1/20 0.45
▸ CAPN1 P07384 2/20 0.44
▸ HLCS P50747 1/20 0.44
▸ MAPT P10636 1/20 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL29758823 0.99 CNR2 (0.64) CNR2CNR1F2PRSS1PRSS2
SCHEMBL30231847 0.96 CNR2 (0.74) CNR2CNR1F2PRSS1PRSS2
SCHEMBL30231854 0.95 CNR2 (0.71) CNR2CNR1F2PRSS1PRSS2
SCHEMBL12989865 0.92 CNR2 (0.68) CNR2CNR1F2PRSS1PRSS2
SCHEMBL10140249 0.90 CNR2 (0.66) CNR2CNR1F2PRSS1PRSS2
SCHEMBL12582940 0.90 CNR2 (0.66) CNR2CNR1F2PRSS1PRSS2
SCHEMBL30165784 0.90 CNR2 (0.66) CNR2CNR1F2PRSS1PRSS2
SCHEMBL19965709 0.86 CNR2 (0.74) CNR2CNR1F2PRSS1PRSS2
SCHEMBL19965707 0.86 CNR2 (0.74) CNR2CNR1F2PRSS1PRSS2
SCHEMBL30341792 0.85 CNR2 (0.67) CNR2CNR1F2PRSS1PRSS2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12569439-B2 Bottom-up assembly of synthetic extracellular vesicles MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2026-03-10 — — US disclosed
US-20240100096-A1 METHODS OF ACTIVATING T CELLS ADOC SSF, LLC (US) 2024-03-28 — — US disclosed
US-20230181466-A1 BOTTOM-UP ASSEMBLY OF SYNTHETIC EXTRACELLULAR VESICLES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-06-15 — — US disclosed
EP-4170031-A1 APTAMERS AND USES THEREOF Caris Science, Inc. (US) 2023-04-26 — — EP disclosed
US-20220401537-A1 CHIMERIC RECEPTOR PROTEINS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-22 — — US disclosed
EP-4031583-A1 CHIMERIC RECEPTOR PROTEINS AND USES THEREOF Fred Hutchinson Cancer Center (US) 2022-07-27 — — EP 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-12569439-B2 Bottom-up assembly of synthetic extracellular vesicles EXOSC10, PLTP, EXOSC9 CNR2 3696/4885CNR1 3075/4885F2 602/4885

“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.

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