SCHEMBL2590356

SCHEMBL2590356

CCCC(C)(C)C(=O)[O-].[Na+]

nearest known ligand 0.42

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)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 2/20 0.39
CA2 known ✓ P00918 2/20 0.37
CA4 known ✓ P22748 1/20 0.33
FFAR3 O14843 2/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
NFKB1 P19838 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ELANE P08246 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CES2 O00748 1/20 0.35

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
SCHEMBL29231953 0.95 FFAR3 (0.38) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL22396512 0.95 FFAR3 (0.38) FFAR3HDAC3HDAC1HDAC2HDAC8
Silver SCHEMBL17797177 0.95 FFAR3 (0.38) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL15022059 0.95 FFAR3 (0.38) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL4540510 0.82 CA1 (0.42) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL4303061 0.82 CA1 (0.42) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL9338382 0.81 CA2 (0.48) CA1CA2CES2CES1
SCHEMBL29060643 0.81 CA2 (0.48) CA1CA2CES2CES1
Potassium Ion SCHEMBL25232930 0.80 CA1 (0.41) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL22396505 0.80 CA1 (0.41) FFAR3HDAC3HDAC1HDAC2HDAC8

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233516-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS TECHFIELDS PHARMA CO., LTD (CN) 2023-07-27 US disclosed
US-11541029-B2 High penetration compositions and their applications TECHFIELDS PHARMA CO., LTD. (CN) 2023-01-03 US disclosed
US-20110269689-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS PREMIER RESEARCH INTERNATIONAL, LLC 2011-11-03 US disclosed
US-6242234-B1 HAS ONE OR MORE CYSTEINES REPLACED WITH NON-SULFUR CONTAINING AMINO ACIDS; HIGHER LEVEL OF STABILITY TO AGGREGATION AND OXIDATION; FOR CONVERTING ALPHA KETO ACIDS INTO CORRESPONDING CHIRAL ALPHA AMINO ACIDS DEGUSSA AKTIENGESELLSCHAFT (DE) 2001-06-05 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 (3 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-20110269689-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS SLC19A1, HIRA, SLC43A1 CA1 3305/4885CA2 4516/4885CA4 4552/4885
US-11541029-B2 High penetration compositions and their applications SLC19A1, HIRA, SLC43A1 CA1 3305/4885CA2 4516/4885CA4 4552/4885
US-20230233516-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS SLC5A7, SLC19A1, SLC43A1 CA1 2655/4885CA2 3495/4885CA4 4076/4885

“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.