Cucurbitacin I

Cucurbitacin I

SCHEMBL23219975

CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1C(O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 3/20 1.00
PAX8 Q06710 2/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
HIF1A Q16665 2/20 1.00
CYP3A4 P08684 1/20 1.00
L3MBTL1 Q9Y468 1/20 0.58
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
IGF2BP1 Q9NZI8 2/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
STAT3 P40763 1/20 0.56
HTT P42858 1/20 0.56
ATM Q13315 1/20 0.56
TYR P14679 1/20 0.50
KMT2A Q03164 1/20 0.48
PTPN1 P18031 3/20 0.46
ACHE P22303 2/20 0.45

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
Cucurbitacin I SCHEMBL19679893 1.00 ITGAL (1.00) ITGALPAX8SMN1; SMN2HIF1ACYP3A4
Cucurbitacin I SCHEMBL8738868 1.00 ITGAL (1.00) ITGALPAX8SMN1; SMN2HIF1ACYP3A4
Cucurbitacin I SCHEMBL15914446 1.00 ITGAL (1.00) ITGALPAX8SMN1; SMN2HIF1ACYP3A4
Cucurbitacin I SCHEMBL10013366 1.00 ITGAL (1.00) ITGALPAX8SMN1; SMN2HIF1ACYP3A4
Cucurbitacin I SCHEMBL23999338 1.00 ITGAL (1.00) ITGALPAX8SMN1; SMN2HIF1ACYP3A4
Cucurbitacin I SCHEMBL20121526 1.00 ITGAL (1.00) ITGALPAX8SMN1; SMN2HIF1ACYP3A4
Cucurbitacin I SCHEMBL2523066 1.00 ITGAL (1.00) ITGALPAX8SMN1; SMN2HIF1ACYP3A4
Cucurbitacin I SCHEMBL23219974 1.00 ITGAL (1.00) ITGALPAX8SMN1; SMN2HIF1ACYP3A4
Cucurbitacin I SCHEMBL22791196 1.00 ITGAL (1.00) ITGALPAX8SMN1; SMN2HIF1ACYP3A4
Cucurbitacin I SCHEMBL19236029 1.00 ITGAL (1.00) ITGALPAX8SMN1; SMN2HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10973913-B2 JAK inhibitors and uses thereof WASHINGTON UNIVERSITY (US) 2021-04-13 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 (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-10973913-B2 JAK inhibitors and uses thereof JAK2, JAK1, JAK3 ITGAL 2136/4885PAX8 4618/4885SMN1; SMN2 4770/4885

“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.