SCHEMBL18862897

SCHEMBL18862897

O=S(=O)([O-])c1ccc2c(N=Nc3ccc([Na])cc3S(=O)(=O)O)c(O)ccc2c1.[Na+]

nearest known ligand 0.62

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 2/20 0.62
▸ PTPN1 P18031 2/20 0.58
▸ CYP1A2 P05177 3/20 0.54
▸ HIF1A Q16665 3/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ TSHR P16473 1/20 0.54
▸ PTPRA P18433 1/20 0.54
▸ PTPRB P23467 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ RAPGEF4 Q8WZA2 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ MPL P40238 4/20 0.46
▸ CTRC Q99895 2/20 0.46
▸ APEX1 P27695 2/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ ENPP2 Q13822 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPK1 P28482 2/20 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
SCHEMBL17542083 0.92 CYP1A2 (0.63) THRBPTPN1CYP1A2HIF1ACYP2C9
SCHEMBL6234639 0.81 THRB (0.67) THRBPTPN1CYP1A2HIF1ACYP2C9
SCHEMBL29366329 0.80 THRB (0.65) THRBPTPN1CYP1A2HIF1ACYP2C9
SCHEMBL3196947 0.79 THRB (0.88) THRBPTPN1CYP1A2HIF1ACYP2C9
SCHEMBL29489969 0.79 THRB (0.88) THRBPTPN1CYP1A2HIF1ACYP2C9
SCHEMBL4808237 0.79 THRB (0.88) THRBPTPN1CYP1A2HIF1ACYP2C9
E110 SCHEMBL29350765 0.77 THRB (1.00) THRBPTPN1CYP1A2HIF1ACYP2C9
E110 SCHEMBL142458 0.77 THRB (1.00) THRBPTPN1CYP1A2HIF1ACYP2C9
E110 SCHEMBL323402 0.77 THRB (1.00) THRBPTPN1CYP1A2HIF1ACYP2C9
E110 SCHEMBL13276157 0.77 THRB (1.00) THRBPTPN1CYP1A2HIF1ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3185850-B1 SKIN COLOR-IMPROVING AGENT AND COMPOSITION FOR IMPROVING SKIN COLOR SHOWA DENKO KK (JP) 2019-10-09 — — EP disclosed
US-20170312301-A1 SKIN BARRIER FUNCTION-IMPROVING AGENT AND COMPOSITION FOR IMPROVING SKIN BARRIER FUNCTION SHOWA DENKO K.K. (JP) 2017-11-02 — — US disclosed
US-20170312200-A1 AN AGENT FOR IMPROVING MITOCHONDRIAL FUNCTION SHOWA DENKO K.K. (JP) 2017-11-02 — — US disclosed
US-20170312207-A1 MOISTURIZING AGENT SHOWA DENKO K.K. (JP) 2017-11-02 — — US disclosed
EP-3219304-A1 MOISTURIZING AGENT Showa Denko K.K. (JP) 2017-09-20 — — EP disclosed
EP-3213753-A1 SKIN BARRIER FUNCTION-IMPROVING AGENT AND COMPOSITION FOR IMPROVING SKIN BARRIER FUNCTION Showa Denko K.K. (JP) 2017-09-06 — — EP disclosed
EP-3213739-A1 AGENT FOR IMPROVING MITOCHONDRIAL FUNCTION AND ANTI-AGING COMPOSITION Showa Denko K.K. (JP) 2017-09-06 — — EP disclosed
US-20170143608-A1 SKIN COLOR-IMPROVING AGENT AND COMPOSITION FOR IMPROVING SKIN COLOR SHOWA DENKO K.K. (JP) 2017-05-25 — — 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 (2 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-20170312200-A1 AN AGENT FOR IMPROVING MITOCHONDRIAL FUNCTION UQCRC1, ACAD9, CYP27B1 THRB 2581/4885PTPN1 3692/4885CYP1A2 814/4885
US-20170143608-A1 SKIN COLOR-IMPROVING AGENT AND COMPOSITION FOR IMPROVING SKIN COLOR RBP4, RBP1, RARA THRB 2434/4885PTPN1 3428/4885CYP1A2 1028/4885

“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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