Costunolide

Costunolide

SCHEMBL4091605

C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)CC[C@@H]12.NC(=O)O

nearest known ligand 0.85

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R46 P59540 6/20 0.85
MEN1 O00255 2/20 0.85
KMT2A Q03164 2/20 0.85
PKM P14618 2/20 0.85
RECQL P46063 1/20 0.85
TDP1 Q9NUW8 1/20 0.85
TERT O14746 1/20 0.85
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
TP53 P04637 3/20 0.46
CYP3A4 P08684 3/20 0.46
NFKB1 P19838 2/20 0.46
CYP1A2 P05177 2/20 0.46
STAT6 P42226 2/20 0.46
MAPT P10636 2/20 0.46
CASP1 P29466 1/20 0.46
PTGS2 P35354 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL17754224 0.92 TAS2R46 (1.00) TAS2R46MEN1KMT2APKMRECQL
Costunolide SCHEMBL92714 0.92 TAS2R46 (1.00) TAS2R46MEN1KMT2APKMRECQL
Costunolide SCHEMBL17005796 0.92 TAS2R46 (1.00) TAS2R46MEN1KMT2APKMRECQL
Costunolide SCHEMBL16369044 0.92 TAS2R46 (1.00) TAS2R46MEN1KMT2APKMRECQL
Costunolide SCHEMBL14231146 0.92 TAS2R46 (1.00) TAS2R46MEN1KMT2APKMRECQL
Costunolide SCHEMBL30074732 0.92 TAS2R46 (1.00) TAS2R46MEN1KMT2APKMRECQL
Lobohedleolide SCHEMBL15576177 0.90 TAS2R46 (0.80) TAS2R46MEN1KMT2APKMRECQL
Lobohedleolide SCHEMBL17405134 0.90 TAS2R46 (0.80) TAS2R46MEN1KMT2APKMRECQL
Lobohedleolide SCHEMBL16919806 0.90 TAS2R46 (0.80) TAS2R46MEN1KMT2APKMRECQL
Lobohedleolide SCHEMBL16919807 0.90 TAS2R46 (0.80) TAS2R46MEN1KMT2APKMRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622465-B2 Costunolide derivatives HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2009-11-24 US disclosed
US-20090131427-A1 Costunolide Derivatives HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2009-05-21 US disclosed
US-7488836-B2 Costunolide derivatives HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2009-02-10 US disclosed
US-20080051396-A1 COSTUNOLIDE DERIVATIVES HUTCHISON MEDIPHARMA LIMITED (BS) 2008-02-28 US disclosed
WO-2008022104-A1 COSTUNOLIDE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2008-02-21 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 (2 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-20090131427-A1 Costunolide Derivatives NOS1, NFKBIA, NOS2 TAS2R46 2774/4885MEN1 1603/4885KMT2A 3988/4885
US-20080051396-A1 COSTUNOLIDE DERIVATIVES NOS1, NFKBIA, RELA TAS2R46 3240/4885MEN1 1427/4885KMT2A 3142/4885

“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.