SCHEMBL15057940

SCHEMBL15057940

O=C(O)C1(OCc2cc(Cl)ccc2Cl)COC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.41
GRM3 Q14832 1/20 0.41
FFAR4 Q5NUL3 6/20 0.40
SLC16A3 O15427 1/20 0.40
SLC16A1 P53985 1/20 0.40
MCTS1 Q9ULC4 1/20 0.40
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
S1PR5 Q9H228 2/20 0.39
ADAMTS4 O75173 1/20 0.39
MMP1 P03956 1/20 0.39
MMP13 P45452 1/20 0.39
ALKBH1 Q13686 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAOB P27338 1/20 0.37
MRGPRX4 Q96LA9 4/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL16738428 0.87 SLC16A3 (0.50) GRM2GRM3FFAR4SLC16A3SLC16A1
SCHEMBL27988469 0.80 FFAR4 (0.43) GRM2GRM3FFAR4SLC16A3SLC16A1
SCHEMBL16738426 0.78 FFAR4 (0.43) GRM2GRM3FFAR4SLC16A3SLC16A1
SCHEMBL16738423 0.77 ADAMTS4 (0.36) GRM2GRM3FFAR4S1PR1S1PR3
SCHEMBL27988790 0.77 FFAR4 (0.42) GRM2GRM3FFAR4SLC16A3SLC16A1
SCHEMBL16738504 0.75 FFAR4 (0.40) GRM2GRM3FFAR4SLC16A3SLC16A1
SCHEMBL27988474 0.69 FFAR4 (0.36) GRM2GRM3FFAR4S1PR1S1PR3
SCHEMBL6235604 0.69 KDM4E (0.55) TDP1RAB9A
SCHEMBL31608981 0.68 MAP4K4 (0.44) MMP13TDP1
SCHEMBL15054206 0.68 FFAR4 (0.38) GRM2GRM3FFAR4S1PR1S1PR3

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-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 US disclosed
US-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 US disclosed
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 GRM2 104/4885GRM3 149/4885FFAR4 51/4885

“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.