SCHEMBL4035147

SCHEMBL4035147

COC(=O)Cc1ccccc1OCc1ccc(OCc2nc(-c3ccccc3)sc2C)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
PKM P14618 3/20 0.45
NFKB1 P19838 2/20 0.45
RAB9A P51151 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
CD274 Q9NZQ7 9/20 0.43
GAA P10253 1/20 0.41
PDCD1 Q15116 1/20 0.41
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
FFAR1 O14842 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
GABRA5 P31644 1/20 0.36
CFD P00746 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL4038470 0.92 CFD (0.44) CD274PDCD1FFAR1KDM4ECFD
SCHEMBL4032829 0.85 NPC1 (0.42) NPC1PKMNFKB1RAB9ANFKB2
SCHEMBL4032797 0.83 PPARG (0.52) FFAR1
SCHEMBL4030984 0.79 L3MBTL1 (0.47) L3MBTL1FFAR1CFD
SCHEMBL4038147 0.78 CD274 (0.45) CD274PDCD1FFAR1
SCHEMBL4035063 0.78 PPARG (0.62)
SCHEMBL4035150 0.78 PPARG (0.41) NPC1PKMNFKB1RAB9ANFKB2
SCHEMBL5105903 0.78 GAA (0.64) NPC1PKMNFKB1RAB9ANFKB2
SCHEMBL5397032 0.76 FFAR1 (0.37) NPC1PKMNFKB1RAB9ANFKB2
SCHEMBL4038043 0.76 CFD (0.44) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1

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 NPC1 614/4885PKM 3120/4885NFKB1 828/4885

“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.