SCHEMBL3917002

SCHEMBL3917002

O=C(O)CCc1ccc(OCc2ccc(CN(CCc3ccccn3)c3nc(-c4ccccc4)cs3)cc2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.54
FFAR4 Q5NUL3 1/20 0.46
PPARD Q03181 3/20 0.45
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL3912187 0.92 FFAR1 (0.46) FFAR1FFAR4PPARDMEN1KMT2A
SCHEMBL3921201 0.91 FFAR1 (0.51) FFAR1FFAR4PPARDMEN1KMT2A
SCHEMBL1745640 0.90 FFAR1 (0.50) FFAR1FFAR4PPARD
SCHEMBL3913973 0.90 FFAR1 (0.67) FFAR1FFAR4PPARDMEN1KMT2A
SCHEMBL3913588 0.86 FFAR1 (0.45) FFAR1FFAR4PPARDMEN1KMT2A
SCHEMBL3911921 0.85 PPARD (0.51) FFAR1FFAR4PPARD
SCHEMBL3912746 0.83 NPSR1 (0.45) FFAR1FFAR4PPARDMEN1KMT2A
SCHEMBL1746741 0.83 FFAR1 (0.42) FFAR1FFAR4PPARDMEN1KMT2A
SCHEMBL1744650 0.83 PPARD (0.57) FFAR1FFAR4PPARDMEN1KMT2A
SCHEMBL15679197 0.82 FFAR1 (0.44) FFAR1FFAR4PPARDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3/4885FFAR4 7/4885PPARD 29/4885

“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.