SCHEMBL10329698

SCHEMBL10329698

CC(C)OC(=O)[C@@H]1C[C@H]1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
GABRR1 P24046 1/20 0.37
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC1A2 P43004 3/20 0.34
GRM2 Q14416 2/20 0.34
GRM3 Q14832 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GRM8 O00222 1/20 0.34
GRM6 O15303 1/20 0.34
APEX1 P27695 1/20 0.34
GRM5 P41594 1/20 0.34
PMP22 Q01453 1/20 0.34
GRM1 Q13255 1/20 0.34
GRM4 Q14833 1/20 0.34

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
SCHEMBL28994233 1.00 TSHR (0.39) TSHRGABRR1POLBNPSR1HCAR2
SCHEMBL2863976 1.00 TSHR (0.39) TSHRGABRR1POLBNPSR1HCAR2
SCHEMBL1297585 1.00 TSHR (0.39) TSHRGABRR1POLBNPSR1HCAR2
SCHEMBL31520042 1.00 TSHR (0.39) TSHRGABRR1POLBNPSR1HCAR2
SCHEMBL10121177 0.91 TSHR (0.46) TSHRPOLBNPSR1HCAR2KDM4E
SCHEMBL1297587 0.91 TSHR (0.46) TSHRPOLBNPSR1HCAR2KDM4E
SCHEMBL27791141 0.90 POLB (0.37) TSHRGABRR1POLBNPSR1HCAR2
SCHEMBL1298049 0.85 AKR1C3 (0.33) TSHRGABRR1POLBNPSR1KDM4E
SCHEMBL27709920 0.85 EPHX1 (0.42) TSHRPOLBNPSR1KDM4ELMNA
SCHEMBL1298047 0.84 GABRR1 (0.37) TSHRGABRR1POLBNPSR1SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222240-B2 Use of substituted cyclopropane acid derivatives for producing drugs for use in the treatment of metabolic syndrome SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-07-17 US disclosed
US-8222240-B2 Use of substituted cyclopropane acid derivatives for producing drugs for use in the treatment of metabolic syndrome SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-07-17 US disclosed
US-20090088474-A1 USE OF SUBSTITUTED CYCLOPROPANE ACID DERIVATIVES FOR PRODUCING DRUGS FOR USE IN THE TREATMENT OF METABOLIC SYNDROME SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-04-02 US disclosed
US-20090088474-A1 USE OF SUBSTITUTED CYCLOPROPANE ACID DERIVATIVES FOR PRODUCING DRUGS FOR USE IN THE TREATMENT OF METABOLIC SYNDROME SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-04-02 US disclosed
US-20080045590-A1 USE OF SUBSTITUTED CYCLOPROPANE ACID DERIVATIVES FOR PRODUCING DRUGS FOR USE IN THE TREATMENT OF METABOLIC SYNDROME SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-02-21 US disclosed
US-20080045590-A1 USE OF SUBSTITUTED CYCLOPROPANE ACID DERIVATIVES FOR PRODUCING DRUGS FOR USE IN THE TREATMENT OF METABOLIC SYNDROME SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-02-21 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-20080045590-A1 USE OF SUBSTITUTED CYCLOPROPANE ACID DERIVATIVES FOR PRODUCING DRUGS FOR USE IN THE TREATMENT OF METABOLIC SYNDROME CYP27A1, CYP11B2, CYP11B1 TSHR 1717/4885GABRR1 682/4885POLB 3337/4885
US-20090088474-A1 USE OF SUBSTITUTED CYCLOPROPANE ACID DERIVATIVES FOR PRODUCING DRUGS FOR USE IN THE TREATMENT OF METABOLIC SYNDROME FFAR1, FFAR2, FFAR3 TSHR 496/4885GABRR1 460/4885POLB 4717/4885

“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.