SCHEMBL15054813

SCHEMBL15054813

CC(C)(C)OC(=O)CCc1ccc(Cl)c(CO)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.39
FFAR1 O14842 2/20 0.39
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 2/20 0.36
PYGL P06737 1/20 0.36
APP P05067 1/20 0.35
GAA P10253 1/20 0.35
CDK8 P49336 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
PDPK1 O15530 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADAM17 P78536 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33

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
SCHEMBL15053451 0.88 FFAR1 (0.39) FFAR4FFAR1MTNR1AMTNR1BCYP4F2
SCHEMBL24893924 0.83 FFAR4 (0.43) FFAR4FFAR1MTNR1AMTNR1BCYP4F2
SCHEMBL15053670 0.82 CYP4F2 (0.39) MTNR1AMTNR1BCYP4F2CYP4A11KMT2A
SCHEMBL1905729 0.82 NPC1 (0.41) FFAR4FFAR1MTNR1AMTNR1BCYP4F2
SCHEMBL16750370 0.79 NPC1 (0.46) FFAR4FFAR1CYP4F2CYP4A11KMT2A
SCHEMBL3084246 0.79 CDK8 (0.42) KMT2ATSHRCDK8CLK4ALDH1A1
SCHEMBL14969491 0.78 CYP4F2 (0.43) CYP4F2CYP4A11KMT2ATSHRPYGL
SCHEMBL10982252 0.78 CYP4F2 (0.50) FFAR1MTNR1AMTNR1BCYP4F2CYP4A11
SCHEMBL15079333 0.78 TDP1 (0.46) KMT2ATSHRGAAALDH1A1SMN1; SMN2
SCHEMBL23582796 0.78 NR1H4 (0.47) MTNR1AMTNR1BKMT2ATSHRPYGL

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
US-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 US disclosed
EP-2794576-A1 NON-SYSTEMIC TGR5 AGONISTS Ardelyx, Inc. (US) 2014-10-29 EP disclosed
WO-2013096771-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX, INC. (US) 2013-06-27 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-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS GLP1R, GPR119, TRHR FFAR4 51/4885FFAR1 37/4885MTNR1A 19/4885

“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.