SCHEMBL29368745

SCHEMBL29368745

Cc1cc(C)c(N=Nc2ccc3c(S(=O)(=O)[O-])cccc3c2O)c(S(=O)(=O)[O-])c1.[Na+].[Na+]

nearest known ligand 0.54

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 4/20 0.54
▸ CYP1A2 P05177 2/20 0.49
▸ PTPN1 P18031 5/20 0.45
▸ ENPP2 Q13822 2/20 0.45
▸ ALB P02768 1/20 0.45
▸ HSPD1 P10809 1/20 0.45
▸ HSPE1 P61604 1/20 0.45
▸ TST Q16762 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ RECQL P46063 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ HIF1A Q16665 2/20 0.43
▸ USP2 O75604 2/20 0.41
▸ ATM Q13315 1/20 0.41

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
SCHEMBL344113 0.87 CYP1A2 (0.63) THRBCYP1A2ENPP2ALDH1A1CYP3A4
SCHEMBL344112 0.87 CYP1A2 (0.63) THRBCYP1A2ENPP2ALDH1A1CYP3A4
SCHEMBL624823 0.79 CYP1A2 (0.47) THRBCYP1A2ENPP2ALDH1A1CYP3A4
SCHEMBL14400279 0.77 MPL (0.55) THRBCYP1A2ALDH1A1HPGDRECQL
SCHEMBL3453258 0.76 CYP1A2 (0.67) THRBCYP1A2ENPP2ALDH1A1CYP3A4
SCHEMBL4419746 0.75 MPL (0.65) THRBCYP1A2ENPP2ALDH1A1CYP3A4
SCHEMBL31300193 0.75 MPL (0.65) THRBCYP1A2ENPP2ALDH1A1CYP3A4
SCHEMBL29394629 0.75 THRB (0.65) THRBCYP1A2PTPN1ENPP2ALDH1A1
SCHEMBL590710 0.75 THRB (0.61) THRBCYP1A2PTPN1ENPP2ALB
SCHEMBL2940832 0.74 THRB (0.56) THRBCYP1A2PTPN1ENPP2ALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025097045-A1 COLLOIDAL FOOD BASE COMPOSITIONS COMPRISING MYCELIAL BIOMASS THE FYNDER GROUP, INC (US) 2025-05-08 — — WO claimed
EP-4448404-A1 INDICATOR DEVICE AND SYSTEM AND USES THEREOF FOR DETECTING FOOD SPOILAGE Bio Tip Ltd (IL) 2024-10-23 — — EP claimed
CN-118265656-A Indicator device and system for detecting food spoilage and use thereof 生物技巧有限责任公司 2024-06-28 — — CN claimed
US-11953505-B2 Methods and compositions for detecting misfolded proteins YALE UNIVERSITY (US) 2024-04-09 — — US claimed
WO-2023112035-A1 INDICATOR DEVICE AND SYSTEM AND USES THEREOF FOR DETECTING FOOD SPOILAGE DO-BIO LTD (IL) 2023-06-22 — — WO claimed
US-20220043001-A1 METHODS AND COMPOSITIONS FOR DETECTING MISFOLDED PROTEINS YALE UNIVERSITY (US) 2022-02-10 — — US claimed
US-20260145971-A1 METHOD OF WATER PURIFICATION KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2026-05-28 — — US disclosed
US-12631906-B2 Spectacle lens and method for manufacturing a spectacle lens CARL ZEISS VISION INTERNATIONAL GMBH (DE) 2026-05-19 — — US disclosed
CN-122039466-A Disperse dye washing-free double-sided printing energy-saving process for acetate fiber fabric 浙江爱利斯染整有限公司 2026-05-15 — — CN disclosed
US-20260132059-A1 HYDROGEN BONDING STABILIZED POLYARYL ORGANIC SOLVENT NANOFILTRATION MEMBRANE KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2026-05-14 — — US disclosed
US-12611653-B1 Nanocomposite for degrading organic contaminants IMAM MOHAMMAD IBN SAUD ISLAMIC UNIVERSITY (SA) 2026-04-28 — — US disclosed
US-20260097386-A1 MULTI-NANOCOMPOSITE FOR WATER DECONTAMINATION KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2026-04-09 — — US disclosed
US-12590018-B1 Nanocomposite for wastewater treatment IMAM MOHAMMAD IBN SAUD ISLAMIC UNIVERSITY (SA) 2026-03-31 — — US disclosed
CN-114599794-A Nucleic acid analysis 新加坡科技研究局 2022-06-07 — — CN disclosed
WO-2022103263-A1 RODENTICIDE METAMETA RESEARCH B.V. (NL) 2022-05-19 — — WO disclosed
CN-106461644-B Methods and compositions for detecting misfolded proteins 耶鲁大学 2022-05-13 — — CN disclosed
US-20220089454-A1 FE2O3 CRYSTALLINE NANOPARTICLES, COMPOSITIONS THEREOF AND PHOTOCATALYST IMAM ABDULRAHMAN BIN FAISAL UNIVERSITY (SA) 2022-03-24 — — US disclosed
CN-216023201-U Continuous rectification equipment for o-phenylenediamine 安徽东至广信农化有限公司 2022-03-15 — — CN disclosed
US-20220043001-A1 METHODS AND COMPOSITIONS FOR DETECTING MISFOLDED PROTEINS YALE UNIVERSITY (US) 2022-02-10 — — US disclosed
US-11235983-B2 Alpha-FE2O3 nanoparticles and method of making and use thereof in photodegradation of organic pollutants, as a photocatalyst and as an antibacterial composition IMAM ABDULRAHMAN BIN FAISAL UNIVERSITY (SA) 2022-02-01 — — 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 (6 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-12611653-B1 Nanocomposite for degrading organic contaminants TDO2, CA4, SCO2 THRB 1933/4885CYP1A2 130/4885PTPN1 1137/4885
US-20260145971-A1 METHOD OF WATER PURIFICATION F7, WRN, CACNA2D2 THRB 4714/4885CYP1A2 1505/4885PTPN1 1760/4885
US-12631906-B2 Spectacle lens and method for manufacturing a spectacle lens CRYZ, CRY2, CRYAA THRB 1975/4885CYP1A2 3887/4885PTPN1 3281/4885
US-20260097386-A1 MULTI-NANOCOMPOSITE FOR WATER DECONTAMINATION VIM, SMYD3, EPCAM THRB 4775/4885CYP1A2 2552/4885PTPN1 3463/4885
US-12590018-B1 Nanocomposite for wastewater treatment CA4, HAO2, SCO2 THRB 2985/4885CYP1A2 3252/4885PTPN1 867/4885
US-20260132059-A1 HYDROGEN BONDING STABILIZED POLYARYL ORGANIC SOLVENT NANOFILTRATION MEMBRANE HNRNPF, HNRNPM, UFM1 THRB 4155/4885CYP1A2 2807/4885PTPN1 3434/4885

“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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