SCHEMBL2479359

SCHEMBL2479359

COc1cc(O)c(C(=O)c2ccccc2)cc1OS(=O)(=O)[O-].[Na+]

nearest known ligand 0.64

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
PDE4A known ✓ P27815 1/20 0.50
PDE4D known ✓ Q08499 1/20 0.50
HMGCR known ✓ P04035 1/20 0.41
NOD2 known ✓ Q9HC29 1/20 0.40
LMNA P02545 5/20 0.64
MAPT P10636 5/20 0.64
HPGD P15428 3/20 0.64
KDM4E B2RXH2 3/20 0.64
HSD17B10 Q99714 3/20 0.64
CYP3A4 P08684 1/20 0.64
RECQL P46063 1/20 0.64
KMT2A Q03164 5/20 0.63
ALDH1A1 P00352 4/20 0.63
HTT P42858 4/20 0.50
MAPK1 P28482 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
PGR P06401 1/20 0.50
SLC6A2 P23975 1/20 0.50

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
SCHEMBL29459574 0.87 LMNA (0.70) LMNAMAPTHPGDKDM4EHSD17B10
SCHEMBL480337 0.87 LMNA (0.70) LMNAMAPTHPGDKDM4EHSD17B10
SCHEMBL9339940 0.86 MAPT (0.84) LMNAMAPTHPGDKDM4EHSD17B10
Water SCHEMBL550437 0.86 LMNA (0.68) LMNAMAPTHPGDKDM4EHSD17B10
Sulisobenzone SCHEMBL338882 0.83 LMNA (0.76) LMNAMAPTHPGDKDM4EHSD17B10
Sulisobenzone SCHEMBL29378407 0.83 LMNA (0.76) LMNAMAPTHPGDKDM4EHSD17B10
Sulisobenzone SCHEMBL28588923 0.82 LMNA (0.74) LMNAMAPTHPGDKDM4EHSD17B10
Sulisobenzone SCHEMBL6295947 0.81 LMNA (0.76) LMNAMAPTHPGDKDM4EHSD17B10
Sulisobenzone SCHEMBL11277588 0.81 LMNA (0.76) LMNAMAPTHPGDKDM4EHSD17B10
Sulisobenzone SCHEMBL10621756 0.81 LMNA (0.76) LMNAMAPTHPGDKDM4EHSD17B10

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024090506-A1 HAIR IMPROVING AGENT AND HAIR IMPROVEMENT COMPOSITION リファインホールディングス株式会社 2024-05-02 WO disclosed
US-10632089-B2 Tyrosinase activity inhibitor and external preparation for skin JO COSMETICS CO., LTD. (JP) 2020-04-28 US disclosed
EP-2214625-B1 EMULSION COMPOSITION FUJIFILM CORP (JP) 2018-10-03 EP disclosed
US-20180071239-A1 TYROSINASE ACTIVITY INHIBITOR AND EXTERNAL PREPARATION FOR SKIN JO COSMETICS CO., LTD. (JP) 2018-03-15 US disclosed
EP-1595936-B1 COMPOSITION FOR EXTERNAL USE VITAMIN C60 BIORES CORP (JP) 2011-10-19 EP disclosed
US-20100291008-A1 EMULSION COMPOSITION FUJIFILM CORPORATION (JP) 2010-11-18 US disclosed
EP-1364943-B1 CYSTINE DERIVATIVES AND INHIBITORS FOR THE ACTIVATION OF INFLAMMATORY FACTORS AJINOMOTO KK (JP) 2010-10-20 EP disclosed
EP-2214625-A1 EMULSION COMPOSITION FUJIFILM Corporation (JP) 2010-08-11 EP disclosed
EP-2111860-A1 INFLAMMATION INHIBITOR COMPRISING ZINC SALT OF ACYLAMINO ACID Ajinomoto Co., Inc. (JP) 2009-10-28 EP disclosed
WO-2009066799-A1 EMULSION COMPOSITION FUJIFILM CORPORATION (JP) 2009-05-28 WO disclosed
US-6914075-B2 Cystine derivative and agent for suppressing activation of inflammatory factors AJINOMOTO CO., INC. (JP) 2005-07-05 US disclosed
US-20040059110-A1 Novel cystine derivative and agent for suppressing activation of inflammatory factors AJINOMOTO CO., INC. (JP) 2004-03-25 US disclosed
EP-1364943-A1 NOVEL CYSTINE DERIVATIVES AND INHIBITORS FOR THE ACTIVATION OF INFLAMMATORY FACTORS Ajinomoto Co., Inc. (JP) 2003-11-26 EP disclosed
EP-0688559-B1 Skin anti-ageing composition SHISEIDO CO LTD (JP) 2001-06-20 EP disclosed
US-6077520-A ANTI-AGING TOPICAL COMPOSITION INCLUDING AT LEAST ONE OF SULFONYLETHYLENEAMINE OR MERCAPTOSULFONYLETHYLENEAMINE COMPOUNDS OF GIVEN FORMULA AND SPECIFIED ULTRAVIOLET LIGHT PROTECTIVE AGENTS SHISEIDO COMPANY, LTD. (JP) 2000-06-20 US disclosed
US-5747049-A AMINOETHYLSULFINIC ACID OR AMINOETHYLTHIOSULFONIC ACID, SUNSCREEN SHISEIDO COMPANY, LTD. (JP) 1998-05-05 US disclosed
EP-0688559-A1 Skin anti-ageing composition SHISEIDO COMPANY LIMITED (JP) 1995-12-27 EP disclosed
EP-0349150-B1 Transparent compostition SHISEIDO CO LTD (JP) 1994-08-17 EP disclosed
US-5162377-A Cosmetics, Drugs SHISEIDO COMPANY, LTD. (JP) 1992-11-10 US disclosed
EP-0349150-A2 Transparent compostition SHISEIDO COMPANY LIMITED (JP) 1990-01-03 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 (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-20040059110-A1 Novel cystine derivative and agent for suppressing activation of inflammatory factors CTH, CBS, CYSLTR1 PDE4A 1002/4885PDE4D 1137/4885HMGCR 1576/4885
US-10632089-B2 Tyrosinase activity inhibitor and external preparation for skin TYR, SOD1, CAT PDE4A 4561/4885PDE4D 4731/4885HMGCR 1200/4885
US-20180071239-A1 TYROSINASE ACTIVITY INHIBITOR AND EXTERNAL PREPARATION FOR SKIN TYR, SOD1, CAT PDE4A 4561/4885PDE4D 4731/4885HMGCR 1200/4885

“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.