SCHEMBL4038470

SCHEMBL4038470

Cc1sc(-c2ccccc2)nc1COc1ccc(COc2ccccc2CC(=O)O)cn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFD P00746 12/20 0.44
TPSB2 P20231 6/20 0.44
F11 P03951 5/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
KLKB1 P03952 1/20 0.44
F7 P08709 1/20 0.44
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
CD274 Q9NZQ7 5/20 0.42
FFAR1 O14842 1/20 0.41
PDCD1 Q15116 1/20 0.41
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4035147 0.92 NPC1 (0.45) CFDCD274FFAR1PDCD1KDM4E
SCHEMBL4030984 0.87 L3MBTL1 (0.47) CFDTPSB2F11PLGPLAU
SCHEMBL4038043 0.84 CFD (0.44) CFDTPSB2F11PLGPLAU
SCHEMBL5397032 0.84 FFAR1 (0.37) CD274FFAR1PDCD1KDM4E
SCHEMBL4037707 0.82 FFAR1 (0.54) FFAR1KDM4E
SCHEMBL4038147 0.80 CD274 (0.45) CD274FFAR1PDCD1
SCHEMBL5372007 0.80 KLKB1 (0.41) KLKB1CD274PDCD1KDM4E
SCHEMBL5372267 0.78 CD274 (0.41) CD274PDCD1
SCHEMBL4034564 0.77 PPARG (0.45) CFDTPSB2F11PLGPLAU
SCHEMBL4035236 0.77 PPARG (0.64)

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 CFD 2855/4885TPSB2 2259/4885F11 558/4885

“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.