SCHEMBL4029418

SCHEMBL4029418

Cc1sc(-c2ccccc2)nc1COc1ccc(COc2ncccc2C=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.40
PPARD Q03181 1/20 0.40
PPARG P37231 6/20 0.40
PPARA Q07869 5/20 0.39
ROCK2 O75116 2/20 0.39
ATP4A P20648 2/20 0.38
ATP4B P51164 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
CYP2C9 P11712 1/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL4031214 0.83 MEN1 (0.43) FFAR1PPARDPPARGPPARAROCK2
SCHEMBL4038650 0.83 GABRA5 (0.36) PPARGPPARAMEN1NPC1RAB9A
SCHEMBL4032477 0.82 FFAR1 (0.45) FFAR1PPARDPPARGPPARAROCK2
SCHEMBL4034640 0.82 HRH3 (0.43) FFAR1PPARDPPARGPPARAATP4A
SCHEMBL4034230 0.81 FFAR1 (0.58) FFAR1PPARGPPARA
SCHEMBL4038452 0.81 ALDH1A1 (0.49) FFAR1PPARDPPARGPPARAATP4A
SCHEMBL4037155 0.80 PDE4A (0.40) FFAR1PPARDPPARGPPARAATP4A
SCHEMBL7019462 0.78 FFAR1 (0.47) FFAR1PPARDPPARGPPARAATP4A
SCHEMBL6578743 0.78 HRH3 (0.35) PPARGPPARAROCK2MEN1KMT2A
SCHEMBL7019468 0.77 FFAR1 (0.47) FFAR1PPARDPPARGPPARAATP4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1357115-B1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-06-17 EP disclosed
US-7238716-B2 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2007-07-03 US disclosed
US-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 US disclosed
EP-1357115-A1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-29 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-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof GPR119, ACOX1, ALK FFAR1 4/4885PPARD 754/4885PPARG 593/4885

“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.