SCHEMBL3922019

SCHEMBL3922019

CCCN(Cc1ccc(COc2ccc(CCC(=O)OCC)c(F)c2)cc1)c1nc(-c2ccc(C(F)(F)F)cc2)cs1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
PSEN1 P49768 2/20 0.47
PPARD Q03181 8/20 0.42
ATP4A P20648 2/20 0.41
ATP4B P51164 2/20 0.41
PPARA Q07869 5/20 0.41
PPARG P37231 4/20 0.41
MAOB P27338 1/20 0.41
GCGR P47871 4/20 0.40
GIPR P48546 4/20 0.40
FFAR1 O14842 2/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GSTO1 P78417 1/20 0.38

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
SCHEMBL3911680 0.94 ALOX5 (0.45) ALOX5PSEN1PPARDPPARAPPARG
SCHEMBL3917963 0.93 PPARD (0.49) ALOX5PSEN1PPARDATP4AATP4B
SCHEMBL1746741 0.91 FFAR1 (0.42) PPARDPPARAPPARGFFAR1ALDH1A1
SCHEMBL3912746 0.87 NPSR1 (0.45) PPARDPPARAPPARGFFAR1ALDH1A1
SCHEMBL15679197 0.86 FFAR1 (0.44) PPARDPPARAPPARGFFAR1ALDH1A1
SCHEMBL3916152 0.85 PPARD (0.48) ALOX5PSEN1PPARDPPARAPPARG
SCHEMBL3911921 0.85 PPARD (0.51) ALOX5PSEN1PPARDPPARAPPARG
SCHEMBL1745640 0.84 FFAR1 (0.50) PPARDFFAR1
SCHEMBL3912187 0.83 FFAR1 (0.46) PPARDPPARAPPARGFFAR1ALDH1A1
SCHEMBL1745385 0.83 PPARD (0.55) ALOX5PSEN1PPARDATP4AATP4B

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 ALOX5 783/4885PSEN1 748/4885PPARD 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.