SCHEMBL1683533

SCHEMBL1683533

C=CC(=O)OC(C)(C)N(CC)CC.COS(=O)(=O)O

nearest known ligand 0.38

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

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 3)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.30

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
SCHEMBL9576752 0.88 TSHR (0.38) HPGDTSHRTHRB
SCHEMBL28187784 0.78 DGAT1 (0.33) HPGDTSHR
SCHEMBL4065763 0.76 THRB (0.34) HPGDTSHRTHRB
SCHEMBL16295041 0.74 ALDH1A1 (0.38) HPGDTSHRTHRB
SCHEMBL4369134 0.74 TSHR (0.38) HPGDTSHRTHRB
SCHEMBL27985155 0.72 TSHR (0.34) HPGDTSHR
Acrylic Acid Ethyl Ester SCHEMBL28294928 0.71 TSHR (0.47) HPGDTSHRTHRB
Acrylic Acid Ethyl Ester SCHEMBL2379184 0.70 TSHR (0.43) HPGDTSHRTHRB
Acrylic Acid Ethyl Ester SCHEMBL865344 0.70 TSHR (0.40) HPGDTSHRTHRB
Acrylic Acid Methyl Ester SCHEMBL27656259 0.69 HCAR2 (0.42) HPGDTSHR

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
US-8680038-B2 Copolymer containing zwitterionic units and other units, composition comprising the copolymer, and use RHODIA OPERATIONS (FR) 2014-03-25 US claimed
EP-1966259-B1 COPOLYMER CONTAINING ZWITTERIONIC UNITS AND OTHER UNITS, COMPOSITION COMPRISING THE COPOLYMER, AND USE RHODIA OPERATIONS (FR) 2012-04-18 EP claimed
US-20090197791-A1 COPOLYMER CONTAINING ZWITTERIONIC UNITS AND OTHER UNITS, COMPOSITION COMPRISING THE COPOLYMER, AND USE RHODIA RECHERCHES ET TECHNOLOGIES (FR) 2009-08-06 US claimed
US-8680038-B2 Copolymer containing zwitterionic units and other units, composition comprising the copolymer, and use RHODIA OPERATIONS (FR) 2014-03-25 US disclosed
US-8637622-B2 Copolymer including betaine units and hydrophobic and/or amphiphilic units, method for preparing same and uses thereof RHODIA OPERATIONS (FR) 2014-01-28 US disclosed
US-20110092634-A1 POLYMERIC MICROGEL COMPRISING CATIONIC UNITS RHODIA OPERATIONS (FR) 2011-04-21 US disclosed
US-20100093874-A1 COPOLYMER INCLUDING BETAINE UNITS AND HYDROPHOBIC AND/OR AMPHIPHILIC UNITS, METHOD FOR PREPARING SAME AND USES THEREOF RHODIA OPERATIONS (FR) 2010-04-15 US disclosed
US-20090197791-A1 COPOLYMER CONTAINING ZWITTERIONIC UNITS AND OTHER UNITS, COMPOSITION COMPRISING THE COPOLYMER, AND USE RHODIA RECHERCHES ET TECHNOLOGIES (FR) 2009-08-06 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 (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-20100093874-A1 COPOLYMER INCLUDING BETAINE UNITS AND HYDROPHOBIC AND/OR AMPHIPHILIC UNITS, METHOD FOR PREPARING SAME AND USES THEREOF SLC6A12, BHMT, PHOSPHO1 HPGD 3443/4885TSHR 4570/4885THRB 2610/4885

“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.