SCHEMBL25286189

SCHEMBL25286189

C=C(C)C(=O)OCCS(=O)(=O)[O-].C=C(C)C(=O)OCCS(=O)(=O)[O-].[Ca+2]

nearest known ligand 0.48

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA2 P00918 1/20 0.31

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
SCHEMBL23607566 0.98 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL434885 0.96 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
Lithium Ion SCHEMBL1255355 0.96 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
Potassium Ion SCHEMBL18140214 0.96 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
Methacrylic Acid SCHEMBL9136484 0.91 THRB (0.44) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL18141201 0.90 THRB (0.56) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL18139281 0.90 THRB (0.56) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL16628613 0.89 TSHR (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL18139436 0.87 TSHR (0.56) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL23607561 0.87 TSHR (0.55) THRBTSHRALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250032398-A1 HIGH MOLECULAR WEIGHT BLOCK COPOLYMERS COMPRISING REPEATING UNITS DERIVED FROM MONOMERS COMPRISING LACTAM AND ACRYLOYL MOIETIES AND HYDROPHILIC MONOMERS, COMPOSITIONS, AND APPLICATIONS THEREOF ISP INVESTMENTS LLC (US) 2025-01-30 US disclosed
WO-2023119928-A1 METHOD FOR PRODUCING DISPERSION LIQUID OR SOLUTION IN WHICH WATER CONTAINING POLYSILOXANE-BASED RESIN SERVES AS MEDIUM 株式会社カネカ 2023-06-29 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 (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-20250032398-A1 HIGH MOLECULAR WEIGHT BLOCK COPOLYMERS COMPRISING REPEATING UNITS DERIVED FROM MONOMERS COMPRISING LACTAM AND ACRYLOYL MOIETIES AND HYDROPHILIC MONOMERS, COMPOSITIONS, AND APPLICATIONS THEREOF PCNA, ADSL, APH1B THRB 3258/4885TSHR 3587/4885ALDH1A1 2371/4885

“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.