SCHEMBL3911764

SCHEMBL3911764

O=C(O)CCc1c(F)cc(OCc2ccc(CN(CCc3ccccc3)c3nc(-c4ccccc4)cs3)cc2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.51
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
PPARD Q03181 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
FFAR4 Q5NUL3 2/20 0.42
AKR1B1 P15121 1/20 0.42

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
SCHEMBL3912498 0.91 KMT2A (0.45) FFAR1KMT2AMEN1NPSR1PPARD
SCHEMBL3921201 0.91 FFAR1 (0.51) FFAR1KMT2AMEN1NPSR1PPARD
SCHEMBL3912223 0.89 PPARD (0.57) FFAR1KMT2AMEN1NPSR1PPARD
SCHEMBL3628510 0.86 MEN1 (0.43) FFAR1KMT2AMEN1NPSR1PPARD
SCHEMBL3914638 0.85 FFAR1 (0.58) FFAR1KMT2AMEN1NPSR1PPARD
SCHEMBL1745640 0.84 FFAR1 (0.50) FFAR1PPARDFFAR4
SCHEMBL3911921 0.84 PPARD (0.51) FFAR1PPARDFFAR4
SCHEMBL3911382 0.84 PPARD (0.58) FFAR1KMT2AMEN1NPSR1PPARD
SCHEMBL3921961 0.84 PPARD (0.54) FFAR1KMT2AMEN1NPSR1PPARD
SCHEMBL3918017 0.84 FFAR1 (0.57) FFAR1PPARDFFAR4AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1698624-B1 PHENYLPROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2012-06-27 EP claimed
US-7585880-B2 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-08 US claimed
US-20070155808-A1 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 US claimed
EP-1698624-A1 PHENYLPROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-09-06 EP claimed
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 3/4885KMT2A 3549/4885MEN1 2970/4885

“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.