SCHEMBL3077949

SCHEMBL3077949

C=CC(=O)NC(C(C)C)S(=O)(=O)O.C=CC(=O)OCCO

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.51
HPGD P15428 1/20 0.37
ALDH1A1 P00352 5/20 0.37
TP53 P04637 3/20 0.37
HIF1A Q16665 3/20 0.37
CYP3A4 P08684 2/20 0.37
HSD17B10 Q99714 1/20 0.37
THRB P10828 2/20 0.33
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL1977719 0.85 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid SCHEMBL7620757 0.83 TSHR (0.33) TSHRTHRB
SCHEMBL162366 0.82 TSHR (0.54) TSHRALDH1A1MAPK1
SCHEMBL21829112 0.81 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27967446 0.81 TSHR (0.52) TSHRALDH1A1MAPK1
Ammonia Solution, Strong SCHEMBL7618985 0.81 TSHR (0.52) TSHRALDH1A1MAPK1
SCHEMBL1775598 0.81 TSHR (0.52) TSHRALDH1A1MAPK1
Lithium SCHEMBL38660899 0.81 TSHR (0.52) TSHRALDH1A1MAPK1
Water SCHEMBL17782175 0.79 TSHR (0.50) TSHRALDH1A1MAPK1
Acrylic Acid SCHEMBL1696538 0.78 TSHR (0.48) TSHRALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100233196-A1 METHOD FOR PREPARING A VACCINE COMPOSITION COMPRISING AT LEAST ONE ANTIGEN AND AT LEAST ONE ADJUVANT SOCIETE D'EXPLOITATION DE PRODUITS POUR LES INDUSTRIES CHIMIQUES SEPPIC (FR) 2010-09-16 US claimed
US-9795565-B2 Method for preparing a vaccine composition comprising at least one antigen and at least one adjuvant Société d'Exploitation de Produits pour les Industries Chimiques SEPPIC (FR) 2017-10-24 US disclosed
US-20100233196-A1 METHOD FOR PREPARING A VACCINE COMPOSITION COMPRISING AT LEAST ONE ANTIGEN AND AT LEAST ONE ADJUVANT SOCIETE D'EXPLOITATION DE PRODUITS POUR LES INDUSTRIES CHIMIQUES SEPPIC (FR) 2010-09-16 US disclosed
US-20060210521-A1 Composition containing a urea compound and an alkyl glycol carboxylate compound L'OREAL (FR) 2006-09-21 US disclosed
US-20060210518-A1 Composition containing a urea compound and an oxyalkylenated compound L'OREAL (FR) 2006-09-21 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 (2 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-20060210521-A1 Composition containing a urea compound and an alkyl glycol carboxylate compound UNG, PCNA, SMURF1 TSHR 3744/4885HPGD 1566/4885ALDH1A1 348/4885
US-20060210518-A1 Composition containing a urea compound and an oxyalkylenated compound CUTA, C9, C1S TSHR 4418/4885HPGD 1155/4885ALDH1A1 1193/4885

“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.