SCHEMBL2469346

SCHEMBL2469346

CC(=O)N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-].[Na+]

nearest known ligand 0.59

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
THRB known ✓ P10828 9/20 0.59
THRA known ✓ P10827 6/20 0.59
PPARG known ✓ P37231 6/20 0.59
ADORA3 known ✓ P0DMS8 2/20 0.59
PDE4D known ✓ Q08499 2/20 0.59
NR3C1 known ✓ P04150 1/20 0.59
PTGS2 known ✓ P35354 1/20 0.59
GABRP known ✓ O00591 1/20 0.45
GABRD known ✓ O14764 1/20 0.45
GABRA1 known ✓ P14867 1/20 0.45
GABRB1 known ✓ P18505 1/20 0.45
GABRG2 known ✓ P18507 1/20 0.45
GABRB3 known ✓ P28472 1/20 0.45
ADORA1 known ✓ P30542 1/20 0.45
GABRA5 known ✓ P31644 1/20 0.45
GABRA3 known ✓ P34903 1/20 0.45
GABRA2 known ✓ P47869 1/20 0.45
GABRB2 known ✓ P47870 1/20 0.45
GABRA4 known ✓ P48169 1/20 0.45
GABRE known ✓ P78334 1/20 0.45

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
SCHEMBL30056620 1.00 THRB (0.59) THRBMEN1KMT2ATHRAPPARG
SCHEMBL468893 0.88 THRB (0.69) THRBMEN1KMT2ATHRAPPARG
SCHEMBL468892 0.88 THRB (0.69) THRBMEN1KMT2ATHRAPPARG
Water SCHEMBL1526158 0.87 THRB (0.57) THRBMEN1KMT2ATHRAPPARG
SCHEMBL10878152 0.87 THRB (0.60) THRBMEN1KMT2ATHRAPPARG
SCHEMBL27294322 0.86 THRB (0.59) THRBMEN1KMT2ATHRAPPARG
SCHEMBL10939002 0.85 THRB (0.58) THRBMEN1KMT2ATHRAPPARG
SCHEMBL6723726 0.85 THRB (0.58) THRBMEN1KMT2ATHRAPPARG
SCHEMBL6723723 0.85 THRB (0.58) THRBMEN1KMT2ATHRAPPARG
SCHEMBL10939006 0.85 THRB (0.58) THRBMEN1KMT2ATHRAPPARG

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
CN-111808011-B High penetration composition and its application 泰飞尔生物医药(苏州)有限公司 2024-02-27 CN disclosed
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
EP-2370406-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS Yu, Chongxi (US) 2011-10-05 EP disclosed
WO-2010065936-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS YU CHONGXI (US) 2010-06-10 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 (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 THRB 4053/4885THRA 2390/4885PPARG 2406/4885
US-11541029-B2 High penetration compositions and their applications SLC19A1, HIRA, SLC43A1 THRB 4053/4885THRA 2390/4885PPARG 2406/4885
US-20230233516-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS SLC5A7, SLC19A1, SLC43A1 THRB 3974/4885THRA 2496/4885PPARG 2315/4885

“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.