SCHEMBL4037155

SCHEMBL4037155

Cc1sc(-c2ccccc2)nc1COc1ccc(COc2ncccc2CC#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.40
PDE4B Q07343 4/20 0.40
PDE4C Q08493 4/20 0.40
PDE4D Q08499 4/20 0.40
HRH3 Q9Y5N1 3/20 0.39
MAOB P27338 3/20 0.39
PPARG P37231 3/20 0.38
PPARA Q07869 2/20 0.38
FFAR1 O14842 1/20 0.37
PPARD Q03181 1/20 0.37
ATP4A P20648 2/20 0.36
ATP4B P51164 2/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34

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 0.87 MEN1 (0.43) HRH3PPARGPPARAFFAR1PPARD
SCHEMBL4034640 0.86 HRH3 (0.43) PDE4APDE4BPDE4CPDE4DHRH3
SCHEMBL4032477 0.85 FFAR1 (0.45) PPARGPPARAFFAR1PPARDPRMT5
SCHEMBL4037971 0.83 GABRA5 (0.34) HRH3KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4030808 0.82 FFAR1 (0.54) PPARGPPARAFFAR1KDM4EMEN1
SCHEMBL4029418 0.80 FFAR1 (0.40) HRH3PPARGPPARAFFAR1PPARD
SCHEMBL4031832 0.76 LTA4H (0.44) MAOBATP4AATP4BMEN1KMT2A
SCHEMBL7025168 0.76 MAOB (0.45) PDE4APDE4BPDE4CPDE4DHRH3
SCHEMBL4030120 0.75 FFAR1 (0.44) PDE4APDE4BPDE4CPDE4DPPARG
SCHEMBL4035370 0.74 FFAR1 (0.48) HRH3PPARGPPARAFFAR1PPARD

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 PDE4A 4762/4885PDE4B 4759/4885PDE4C 4847/4885

“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.