SCHEMBL3918686

SCHEMBL3918686

O=C(O)CCc1ccc(OCc2ccc(CN(CCc3ccccc3)c3nc(-c4ccccc4)cs3)nc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.52
PPARD Q03181 5/20 0.51
FFAR4 Q5NUL3 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
AKR1B1 P15121 2/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL3909391 0.92 NPSR1 (0.49) FFAR1PPARDNPSR1KMT2AMEN1
SCHEMBL3912223 0.90 PPARD (0.57) FFAR1PPARDFFAR4NPSR1AKR1B1
SCHEMBL3918017 0.88 FFAR1 (0.57) FFAR1PPARDFFAR4AKR1B1
SCHEMBL3914638 0.86 FFAR1 (0.58) FFAR1PPARDFFAR4NPSR1AKR1B1
SCHEMBL3911382 0.86 PPARD (0.58) FFAR1PPARDFFAR4NPSR1AKR1B1
SCHEMBL3921961 0.86 PPARD (0.54) FFAR1PPARDFFAR4NPSR1KMT2A
SCHEMBL3921211 0.85 KMT2A (0.58) FFAR1PPARDFFAR4NPSR1KMT2A
SCHEMBL1745053 0.84 FFAR1 (0.53) FFAR1PPARDFFAR4NPSR1AKR1B1
SCHEMBL3913973 0.83 FFAR1 (0.67) FFAR1PPARDFFAR4NPSR1AKR1B1
SCHEMBL3917014 0.83 KMT2A (0.45) NPSR1KMT2AMEN1MAPT

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 FFAR1 3/4885PPARD 29/4885FFAR4 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.