SCHEMBL3913641

SCHEMBL3913641

O=C(O)CCc1ccc(OCc2ccc(CN(CCCc3ccccc3)c3nc(-c4ccccn4)cs3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.56
FFAR1 O14842 11/20 0.53
FFAR4 Q5NUL3 4/20 0.50
FAAH O00519 1/20 0.46
PPARG P37231 2/20 0.46
PPARA Q07869 1/20 0.46
ALOX5 P09917 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
SCHEMBL3911909 0.96 FFAR1 (0.56) PPARDFFAR1FFAR4FAAHPPARG
SCHEMBL3911382 0.90 PPARD (0.58) PPARDFFAR1FFAR4PPARGPPARA
SCHEMBL3917006 0.87 FFAR1 (0.46) PPARDFFAR1FFAR4FAAHPPARG
SCHEMBL3912223 0.86 PPARD (0.57) PPARDFFAR1FFAR4PPARGPPARA
SCHEMBL3913973 0.84 FFAR1 (0.67) PPARDFFAR1FFAR4PPARGPPARA
SCHEMBL3914638 0.84 FFAR1 (0.58) PPARDFFAR1FFAR4
SCHEMBL1746715 0.82 PPARD (0.53) PPARDFFAR1FFAR4PPARGPPARA
SCHEMBL3920624 0.82 PPARD (0.57) PPARDFFAR1FFAR4PPARGPPARA
SCHEMBL1745053 0.81 FFAR1 (0.53) PPARDFFAR1FFAR4PPARGPPARA
SCHEMBL3921961 0.81 PPARD (0.54) PPARDFFAR1FFAR4PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1698624-B1 PHENYLPROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2012-06-27 EP disclosed
US-7585880-B2 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-08 US disclosed
US-7585880-B2 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-08 US disclosed
US-7585880-B2 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-08 US disclosed
US-20070155808-A1 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 US disclosed
US-20070155808-A1 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 US disclosed
US-20070155808-A1 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 US disclosed
EP-1698624-A1 PHENYLPROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-09-06 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-20070155808-A1 Phenylpropanoic acid derivatives GPR119, GPR55, FFAR1 PPARD 29/4885FFAR1 3/4885FFAR4 7/4885

“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.