SCHEMBL4081150

SCHEMBL4081150

C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C(=O)NCc3ccc(F)cc3)CC[C@H]12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ PKM P14618 3/20 0.55
▸ TAS2R46 P59540 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ RECQL P46063 1/20 0.55
▸ TERT O14746 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ PTPN1 P18031 2/20 0.37
▸ PTPN2 P17706 1/20 0.37
▸ LMNA P02545 4/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL13629611 1.00 MEN1 (0.55) MEN1KMT2APKMTAS2R46TDP1
SCHEMBL4081155 1.00 MEN1 (0.55) MEN1KMT2APKMTAS2R46TDP1
SCHEMBL4755810 0.83 PKM (0.61) MEN1KMT2APKMTAS2R46TDP1
SCHEMBL13629605 0.83 PKM (0.61) MEN1KMT2APKMTAS2R46TDP1
SCHEMBL4092222 0.81 PKM (0.68) MEN1KMT2APKMTAS2R46TDP1
SCHEMBL13629604 0.81 PKM (0.68) MEN1KMT2APKMTAS2R46TDP1
SCHEMBL4092225 0.81 PKM (0.68) MEN1KMT2APKMTAS2R46TDP1
SCHEMBL13629612 0.81 PKM (0.59) MEN1KMT2APKMTAS2R46TDP1
SCHEMBL4092476 0.81 PKM (0.59) MEN1KMT2APKMTAS2R46TDP1
SCHEMBL4086305 0.78 PKM (0.73) MEN1KMT2APKMTAS2R46TDP1

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
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

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 MEN1 1603/4885KMT2A 3988/4885PKM 4351/4885
US-20080051396-A1 COSTUNOLIDE DERIVATIVES NOS1, NFKBIA, RELA MEN1 1427/4885KMT2A 3142/4885PKM 3601/4885

“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.

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