SCHEMBL4038358

SCHEMBL4038358

CC(N)(c1ccc(COc2ccc(CC(=O)O)cc2)cc1)c1nc(-c2ccccc2)cs1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.47
PPARA Q07869 3/20 0.47
PPARG P37231 2/20 0.47
NR1H4 Q96RI1 1/20 0.46
APP P05067 1/20 0.45
FFAR1 O14842 2/20 0.45
ALOX5 P09917 2/20 0.41
PSEN1 P49768 1/20 0.41
VDR P11473 1/20 0.41
NR4A2 P43354 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 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
SCHEMBL4029432 0.91 APP (0.48) PPARDPPARAPPARGAPPFFAR1
SCHEMBL5585544 0.79 NR4A2 (0.57) PPARDPPARANR1H4ALOX5NR4A2
SCHEMBL4034139 0.79 SREBF2 (0.44)
SCHEMBL4038361 0.77 KMT2A (0.53) PPARDNR1H4APPFFAR1ALOX5
SCHEMBL4038366 0.74 MAPT (0.53) PPARDNR1H4APPFFAR1
SCHEMBL4038205 0.74 MAPT (0.53)
SCHEMBL1756380 0.72 FFAR1 (0.72) PPARDPPARGNR1H4FFAR1ALOX5
SCHEMBL5205577 0.72 FFAR1 (0.72) PPARDPPARGNR1H4FFAR1ALOX5
SCHEMBL1066614 0.71 FFAR1 (0.70) FFAR1ALOX5NR4A2
SCHEMBL7600501 0.70 PPARD (0.55) PPARDPPARAFFAR1ALOX5

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 PPARD 754/4885PPARA 156/4885PPARG 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.