SCHEMBL3917006

SCHEMBL3917006

COC(=O)CCc1ccc(OCc2ccc(CN(CCc3ccccc3)c3nc(-c4ccccn4)cs3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.46
KARS1 Q15046 1/20 0.46
PPARD Q03181 4/20 0.45
FAAH O00519 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
PPP1CA P62136 1/20 0.43
HTT P42858 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
CES1 P23141 1/20 0.42
PPARG P37231 1/20 0.41
MMP13 P45452 1/20 0.41

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 0.91 FFAR1 (0.56) FFAR1PPARDFAAHFFAR4CES1
SCHEMBL3917024 0.91 NPSR1 (0.53) FFAR1KARS1PPARDNPSR1ALDH1A1
SCHEMBL3913216 0.88 FFAR1 (0.57) FFAR1KARS1PPARDNPSR1ALDH1A1
SCHEMBL3913641 0.87 PPARD (0.56) FFAR1PPARDFAAHFFAR4PPARG
SCHEMBL1745481 0.85 NPSR1 (0.47) FFAR1PPARDNPSR1ALDH1A1MAPT
SCHEMBL3911602 0.85 NPSR1 (0.51) FFAR1PPARDNPSR1ALDH1A1MAPT
SCHEMBL3918687 0.84 PPARD (0.45) FFAR1KARS1PPARDFFAR4PPARG
SCHEMBL3911613 0.84 PPARD (0.47) FFAR1KARS1PPARDL3MBTL1FFAR4
SCHEMBL1745444 0.83 KMT2A (0.48) FFAR1PPARDNPSR1ALDH1A1MAPT
SCHEMBL1744677 0.83 FFAR1 (0.47) FFAR1PPARDNPSR1ALDH1A1MAPT

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 3/4885KARS1 3947/4885PPARD 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.