SCHEMBL4035150

SCHEMBL4035150

COC(=O)Cc1ccccc1OCc1cc(OCCc2nc(-c3ccccc3)sc2C)no1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.41
PPARA Q07869 11/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
GAA P10253 1/20 0.40
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 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
SCHEMBL4032829 0.93 NPC1 (0.42) NPC1RAB9ASMN1; SMN2PKMHPGD
SCHEMBL4034564 0.92 PPARG (0.45) PPARGPPARA
SCHEMBL4038043 0.85 CFD (0.44) PPARGPPARANPC1RAB9ASMN1; SMN2
SCHEMBL4031217 0.79 MAPT (0.46) PPARGPPARAPOLB
SCHEMBL4035147 0.78 NPC1 (0.45) NPC1RAB9ASMN1; SMN2PKMHPGD
SCHEMBL5105903 0.76 GAA (0.64) NPC1RAB9ASMN1; SMN2PKMHPGD
SCHEMBL4392596 0.74 PPARG (0.56) PPARGPPARANPC1RAB9ASMN1; SMN2
SCHEMBL4035756 0.74 PPARA (0.37) PPARGPPARAPOLB
SCHEMBL6702417 0.73 GAA (0.61) NPC1RAB9ASMN1; SMN2PKMHPGD
SCHEMBL4029865 0.73 SMPD1 (0.48) PPARGPPARAGAAL3MBTL1CASP3

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 PPARG 593/4885PPARA 156/4885NPC1 614/4885

“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.