SCHEMBL440735

SCHEMBL440735

CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CC[C@H](C(=O)c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MALT1 Q9UDY8 1/20 0.44
IDO1 P14902 1/20 0.44
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
EPHX1 P07099 1/20 0.43
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43
ATM Q13315 2/20 0.42
KMT2A Q03164 2/20 0.42
STS P08842 1/20 0.42
NPC1 O15118 1/20 0.42
EPHX2 P34913 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BCHE P06276 1/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
FPR3 P25089 1/20 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
SCHEMBL440734 1.00 PKM (0.45) PKMKDM4EMALT1IDO1ACACB
SCHEMBL24130820 0.79 KDM1A (0.58) KMT2ANPC1EPHX2MEN1
SCHEMBL29081574 0.79 ACACB (0.55) PKMKDM4EACACBACACAATM
SCHEMBL24364210 0.79 ACACB (0.55) PKMKDM4EACACBACACAATM
SCHEMBL463719 0.79 MTNR1A (0.46) PKMKDM4EKMT2ANPC1EPHX2
SCHEMBL1754810 0.77 POLB (0.58) PKMKDM4EMALT1IDO1NPC1
Hydrochloric Acid SCHEMBL439362 0.76 MC4R (0.51) PKMKMT2ANPC1EPHX2RAB9A
Hydrochloric Acid SCHEMBL439363 0.76 MC4R (0.51) PKMKMT2ANPC1EPHX2RAB9A
SCHEMBL27107743 0.75 HTT (0.69) PKMKDM4EKMT2ASTSNPC1
SCHEMBL4725760 0.75 STS (0.40) PKMKDM4EKMT2ASTSHRH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT PKM 1657/4885KDM4E 2452/4885MALT1 3476/4885

“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.