SCHEMBL6231220

SCHEMBL6231220

C=CC(=O)OCCC(S(=O)(=O)O)S(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.50
ALDH1A1 P00352 4/20 0.50
TP53 P04637 3/20 0.50
HIF1A Q16665 3/20 0.50
CYP3A4 P08684 2/20 0.50
HSD17B10 Q99714 1/20 0.50
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
THRB P10828 2/20 0.39

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
SCHEMBL9994805 0.83 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5052638 0.81 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11058201 0.81 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11702931 0.80 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10702026 0.80 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL905094 0.79 TSHR (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8861439 0.78 TSHR (0.53) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5052502 0.78 TSHR (0.51) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL4776174 0.76 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL6368712 0.75 TSHR (0.58) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517870-A2 METHOD FOR ACCELERATING SETTING OF A HYDRAULIC MINERAL BINDER COMPOSITION WITH ADDED ADJUVANT INCLUDING HYDROPHILIC FUNCTIONS, AND COMPOSITION OBTAINABLE BY SAID METHOD AND USE THEREOF RHODIA CHIMIE (FR) 2005-03-30 EP disclosed
US-20040170657-A1 Dispersion comprising an emulsion having an aqueous phase with high ionic strength RHODIA CHIMIE (FR) 2004-09-02 US disclosed
WO-2004002915-A2 METHOD FOR ACCELERATING SETTING OF A HYDRAULIC MINERAL BINDER COMPOSITION WITH ADDED ADJUVANT INCLUDING HYDROPHILIC FUNCTIONS, AND COMPOSITION OBTAINABLE BY SAID METHOD AND USE THEREOF RHODIA CHIMIE (FR) 2004-01-08 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-20040170657-A1 Dispersion comprising an emulsion having an aqueous phase with high ionic strength SAMM50, IPO5, IPO7 TSHR 4792/4885ALDH1A1 4658/4885TP53 1761/4885

“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.