SCHEMBL1746672

SCHEMBL1746672

COC(=O)CCc1ccc(OCc2cc3c(C(F)(F)F)cccc3s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.44
PPARD Q03181 2/20 0.44
FFAR1 O14842 5/20 0.43
FFAR4 Q5NUL3 1/20 0.43
GAA P10253 1/20 0.43
AR P10275 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.40
SLC9A1 P19634 2/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL1745055 0.89 FFAR1 (0.56) PPARDFFAR1FFAR4PPARGPPARA
SCHEMBL1747331 0.80 VDR (0.49) VDRPPARDFFAR1FFAR4ADRB2
SCHEMBL1747381 0.75 FFAR1 (0.61) FFAR1FFAR4
SCHEMBL1746798 0.72 VDR (0.46) VDRPPARDFFAR1FFAR4GAA
SCHEMBL18002977 0.72 MAOB (0.63) PPARDFFAR1FFAR4PPARGPPARA
SCHEMBL1746635 0.72 MAPT (0.45) VDRPPARDFFAR1FFAR4GAA
SCHEMBL1744706 0.70 ADRB2 (0.47) VDRPPARDFFAR1FFAR4ADRB2
SCHEMBL1745469 0.70 FFAR1 (0.60) PPARDFFAR1FFAR4MRGPRX4PPARG
SCHEMBL1746642 0.70 FFAR1 (0.48) VDRPPARDFFAR1FFAR4ADRB2
SCHEMBL1747352 0.69 VDR (0.41) VDRPPARDFFAR1FFAR4ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1559422-B1 RECEPTOR FUNCTION CONTROLLING AGENT TAKEDA PHARMACEUTICAL (JP) 2014-04-30 EP disclosed
EP-1559422-B1 RECEPTOR FUNCTION CONTROLLING AGENT TAKEDA PHARMACEUTICAL (JP) 2014-04-30 EP disclosed
EP-2385032-A1 GPR40 Receptor function regulator Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-20090012093-A1 Receptor Function Regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-08 US disclosed
US-20090012093-A1 Receptor Function Regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-08 US disclosed
US-20090012093-A1 Receptor Function Regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-08 US disclosed
EP-1559422-A1 RECEPTOR FUNCTION CONTROLLING AGENT Takeda Pharmaceutical Company Limited (JP) 2005-08-03 EP 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-20090012093-A1 Receptor Function Regulator GPR119, GIPR, INSR VDR 117/4885PPARD 326/4885FFAR1 33/4885

“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.