SCHEMBL4034640

SCHEMBL4034640

Cc1sc(-c2ccccc2)nc1COc1ccc(COc2ncccc2C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.43
FFAR1 O14842 2/20 0.39
AKR1B1 P15121 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 1/20 0.39
MAOB P27338 3/20 0.39
PPARD Q03181 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
ATP4A P20648 1/20 0.37
ATP4B P51164 1/20 0.37
GHSR Q92847 1/20 0.37

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
SCHEMBL4037155 0.86 PDE4A (0.40) HRH3FFAR1PDE4APDE4BPDE4C
SCHEMBL4031214 0.83 MEN1 (0.43) HRH3FFAR1PPARGPPARAPPARD
SCHEMBL4034776 0.83 GABRA5 (0.39) HRH3GABRA1GABRG2GABRB3GABRA5
SCHEMBL4029418 0.82 FFAR1 (0.40) HRH3FFAR1PPARGPPARAPPARD
SCHEMBL4035258 0.81 FFAR1 (0.56) FFAR1PPARGPPARAPPARDMAPT
SCHEMBL4032477 0.80 FFAR1 (0.45) FFAR1PPARGPPARAPPARDL3MBTL1
SCHEMBL4035370 0.76 FFAR1 (0.48) HRH3FFAR1PPARGPPARAPPARD
SCHEMBL1731239 0.76 FFAR1 (0.46) HRH3FFAR1PPARGPPARAPPARD
SCHEMBL7025167 0.76 FFAR1 (0.43) HRH3FFAR1PDE4APDE4BPDE4C
SCHEMBL7025168 0.75 MAOB (0.45) HRH3FFAR1PDE4APDE4BPDE4C

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 HRH3 442/4885FFAR1 4/4885AKR1B1 88/4885

“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.