SCHEMBL1747331

SCHEMBL1747331

COC(=O)CCc1ccc(OCc2cc3ccccc3s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.49
PPARD Q03181 1/20 0.48
RPS6KB2 Q9UBS0 1/20 0.46
PPARG P37231 1/20 0.45
FFAR1 O14842 4/20 0.44
FFAR4 Q5NUL3 1/20 0.44
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
PSEN1 P49768 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
AGXT P21549 1/20 0.44
AKR1B1 P15121 1/20 0.43

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
SCHEMBL1746765 0.87 FFAR1 (0.60) FFAR1FFAR4AKR1B1
SCHEMBL12809334 0.82 RPS6KB2 (0.56) RPS6KB2ADRB2AGXT
SCHEMBL1746499 0.80 RAB9A (0.55) VDRFFAR1FFAR4AKR1B1
SCHEMBL1746672 0.80 VDR (0.44) VDRPPARDPPARGFFAR1FFAR4
SCHEMBL13960107 0.79 AGXT (0.54) PTGESALOX5PSEN1ADRB2AGXT
SCHEMBL1745498 0.78 MAPT (0.61) ALOX5
SCHEMBL1745247 0.77 FFAR1 (0.72) FFAR1FFAR4AKR1B1
SCHEMBL1747136 0.77 FFAR1 (0.72) FFAR1FFAR4AKR1B1
SCHEMBL1747344 0.77 PPARG (0.53) VDRPPARDPPARG
SCHEMBL7086883 0.77 AGXT (0.58) PTGESALOX5PSEN1ADRB2AGXT

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 11 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
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 326/4885RPS6KB2 2133/4885

“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.