SCHEMBL29353967

SCHEMBL29353967

O=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2c(N=Nc3ccc(S(=O)(=O)[O-])c4ccccc34)c(O)ccc2c1.[Na+].[Na+].[Na+]

nearest known ligand 0.72

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 0.55
▸ APP P05067 1/20 0.72
▸ ALDH1A1 P00352 2/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ TDP1 Q9NUW8 2/20 0.53
▸ HIF1A Q16665 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ ALOX12 P18054 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ APEX1 P27695 2/20 0.52
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ PTPRA P18433 1/20 0.48
▸ PTPRB P23467 1/20 0.48

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
SCHEMBL93700 1.00 APP (0.72) APPALDH1A1MAPK1THRBTDP1
SCHEMBL93701 1.00 APP (0.72) APPALDH1A1MAPK1THRBTDP1
SCHEMBL29912825 0.98 APP (0.69) APPALDH1A1MAPK1THRBTDP1
SCHEMBL5159519 0.90 MAPK1 (0.74) APPALDH1A1MAPK1THRBTDP1
SCHEMBL14471820 0.90 MAPK1 (0.74) APPALDH1A1MAPK1THRBTDP1
SCHEMBL1638375 0.90 MAPK1 (0.73) APPALDH1A1MAPK1THRBTDP1
SCHEMBL10621059 0.90 MAPK1 (0.73) APPALDH1A1MAPK1THRBTDP1
SCHEMBL29421649 0.90 MAPK1 (0.73) APPALDH1A1MAPK1THRBTDP1
SCHEMBL29408777 0.87 THRB (0.58) APPALDH1A1MAPK1THRBTDP1
SCHEMBL29366329 0.86 THRB (0.65) APPALDH1A1MAPK1THRBTDP1

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 1728 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4716527-A1 A MULTIPLE UNIT ORAL DOSAGE FORM OF DOXYLAMINE SUCCINATE AND PYRIDOXINE HYDROCHLORIDE FREE OF TITANIUM DIOXIDE Italfarmaco SpA (IT) 2026-04-01 — — EP claimed
WO-2025229356-A1 ORAL HYDRATION SOLUTION AQABELA LTD (GB) 2025-11-06 — — WO claimed
EP-4605242-A1 AN AQUEOUS BIOINK SOLUTION FOR USE IN LIGHT-BASED BIOPRINTING APPLICATIONS, AND METHODS OF USING THE AQUEOUS BIOINK SOLUTION CELLINK Bioprinting AB (SE) 2025-08-27 — — EP claimed
EP-3958926-B1 MULTIVASCULAR NETWORKS AND FUNCTIONAL INTRAVASCULAR TOPOLOGIES WITHIN BIOCOMPATIBLE HYDROGELS UNIV RICE WILLIAM M (US) 2025-08-20 — — EP claimed
EP-3778795-B1 INKJET INK AND TABLET TOPPAN PRINTING CO LTD (JP) 2025-08-13 — — EP claimed
US-20250228644-A1 METHODS FOR MARKING A TARGET LOCATION FOR A MEDICAL PROCEDURE EPHEMERAL SOLUTIONS, INC. 2025-07-17 — — US claimed
US-20250194586-A1 DISINFECTANT COMPOSITION WHITELEY CORP PTY LTD (AU) 2025-06-19 — — US claimed
US-20250186407-A1 TRANSMUCOSAL THERAPEUTIC SYSTEM CONTAINING A MACROLIDE IMMUNOSUPPRESSANT NUCLEUS MEDICAL GMBH (DE) 2025-06-12 — — US claimed
CN-120091914-A Aqueous bio-ink solution for light-based bio-printing applications and method of using the same 塞尔林克生物打印有限责任公司 2025-06-03 — — CN claimed
WO-2025097045-A1 COLLOIDAL FOOD BASE COMPOSITIONS COMPRISING MYCELIAL BIOMASS THE FYNDER GROUP, INC (US) 2025-05-08 — — WO claimed
US-20220202750-A1 DYE COMPOSITION FOR MARKING ORGANIC TISSUE WITH ANAESTHETIC AND METHOD FOR APPLYING SAME HEXSEL, DORIS MARIA (BR) 2022-06-30 — — US claimed
CN-114456958-A Salt-tolerant pichia guilliermondii strain with azo dye degradation function, culture method and application thereof 辽宁师范大学 2022-05-10 — — CN claimed
US-20220125922-A1 Photosensitive Dyes and Method of Using Said Dyes STRT LLC (US) 2022-04-28 — — US claimed
CN-114388077-A Traditional Chinese medicine dyed material database based on micro-focusing Raman technology and application thereof in identification of traditional Chinese medicine dyed materials 成都市食品药品检验研究院 2022-04-22 — — CN claimed
US-20220111050-A1 BIOPHOTONIC COMPOSITIONS, METHODS, AND KITS FOR INHIBITING AND DISRUPTING BIOFILMS FLE INTERNATIONAL S.R.L. (IT) 2022-04-14 — — US claimed
WO-2022072467-A1 COMPOSITIONS, KITS AND METHODS FOR COLLECTING ANALYTE IN A SALIVA SAMPLE DECIMADX, LLC (US) 2022-04-07 — — WO claimed
CN-114245751-A Multi-channel networks and functional in-channel topologies within biocompatible hydrogels 威廉马歇莱思大学 2022-03-25 — — CN claimed
CN-114213900-A Watercolor ink capable of halation dyeing and multiple color folding and paper breaking and preparation method thereof 广东肇庆市红鹰科技有限公司 2022-03-22 — — CN claimed
WO-2022043560-A1 PEELABLE WRITING INK COMPOSITION WITH COLOR-CHANGING FOR WRITING POROUS SUBSTRATES SOCIETE BIC (FR) 2022-03-03 — — WO claimed
EP-3958926-A1 MULTIVASCULAR NETWORKS AND FUNCTIONAL INTRAVASCULAR TOPOLOGIES WITHIN BIOCOMPATIBLE HYDROGELS William Marsh Rice University (US) 2022-03-02 — — EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20250186407-A1 TRANSMUCOSAL THERAPEUTIC SYSTEM CONTAINING A MACROLIDE IMMUNOSUPPRESSANT TMSB4X, TMSB10, PIGS THRB 3634/4885APP 4632/4885ALDH1A1 3645/4885

“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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