Artemisin

Artemisin

SCHEMBL10331315

C[C@@H]1CC[C@H]2[C@@H](C)C(=O)OC3O[C@@]4(C)CC[C@@H]1[C@]32OO4

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGES2 Q9H7Z7 9/20 1.00
▸ ALDH1A1 P00352 4/20 1.00
▸ LMNA P02545 3/20 1.00
▸ HTT P42858 3/20 1.00
▸ CYP1A2 P05177 2/20 1.00
▸ CYP3A4 P08684 2/20 1.00
▸ CYP2D6 P10635 1/20 1.00
▸ CYP2C19 P33261 1/20 1.00
▸ HIF1A Q16665 1/20 1.00
▸ NR1I2 O75469 1/20 1.00
▸ CYP2B6 P20813 1/20 1.00
▸ GAA P10253 1/20 1.00
▸ HPGD P15428 1/20 1.00
▸ HSD17B10 Q99714 1/20 1.00
▸ TP53 P04637 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56

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
Artemisin SCHEMBL13976003 1.00 PTGES2 (1.00) PTGES2ALDH1A1LMNAHTTCYP1A2
Artemisin SCHEMBL2604464 1.00 PTGES2 (1.00) PTGES2ALDH1A1LMNAHTTCYP1A2
Artemisin SCHEMBL12741200 1.00 PTGES2 (1.00) PTGES2ALDH1A1LMNAHTTCYP1A2
Artemisin SCHEMBL13219259 1.00 PTGES2 (1.00) PTGES2ALDH1A1LMNAHTTCYP1A2
Artemisin SCHEMBL23843508 1.00 PTGES2 (1.00) PTGES2ALDH1A1LMNAHTTCYP1A2
Artemisin SCHEMBL10042110 1.00 PTGES2 (1.00) PTGES2ALDH1A1LMNAHTTCYP1A2
Artemisin SCHEMBL23974927 1.00 PTGES2 (1.00) PTGES2ALDH1A1LMNAHTTCYP1A2
Artemisin SCHEMBL14013802 1.00 PTGES2 (1.00) PTGES2ALDH1A1LMNAHTTCYP1A2
Artemisin SCHEMBL60303 1.00 PTGES2 (1.00) PTGES2ALDH1A1LMNAHTTCYP1A2
Artemisin SCHEMBL14616147 1.00 PTGES2 (1.00) PTGES2ALDH1A1LMNAHTTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422259-B2 Synthetic transtaganolide and basiliolide products, derivatives thereof, and synthesis methods thereof CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-08-23 — — US disclosed
US-9422259-B2 Synthetic transtaganolide and basiliolide products, derivatives thereof, and synthesis methods thereof CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-08-23 — — US disclosed
US-20150051411-A1 SYNTHETIC TRANSTAGANOLIDE AND BASILIOLIDE PRODUCTS, DERIVATIVES THEREOF, AND SYNTHESIS METHODS THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-02-19 — — US disclosed
US-20150051411-A1 SYNTHETIC TRANSTAGANOLIDE AND BASILIOLIDE PRODUCTS, DERIVATIVES THEREOF, AND SYNTHESIS METHODS THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-02-19 — — US disclosed
US-8912347-B2 Synthetic transtaganolide and basiliolide products, derivatives thereof, and synthesis methods thereof CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-12-16 — — US disclosed
US-8912347-B2 Synthetic transtaganolide and basiliolide products, derivatives thereof, and synthesis methods thereof CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-12-16 — — US disclosed
WO-2012100005-A2 SYNTHETIC TRANSTAGANOLIDE AND BASILIOLIDE PRODUCTS, DERIVATIVES THEREOF, AND SYNTHESIS METHODS THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-07-26 — — WO disclosed
US-20120184754-A1 SYNTHETIC TRANSTAGANOLIDE AND BASILIOLIDE PRODUCTS, DERIVATIVES THEREOF, AND SYNTHESIS METHODS THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY 2012-07-19 — — US disclosed
US-20120184754-A1 SYNTHETIC TRANSTAGANOLIDE AND BASILIOLIDE PRODUCTS, DERIVATIVES THEREOF, AND SYNTHESIS METHODS THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY 2012-07-19 — — 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-20120184754-A1 SYNTHETIC TRANSTAGANOLIDE AND BASILIOLIDE PRODUCTS, DERIVATIVES THEREOF, AND SYNTHESIS METHODS THEREOF LSS, CYP51A1, GGPS1 PTGES2 792/4885ALDH1A1 2648/4885LMNA 2337/4885
US-20150051411-A1 SYNTHETIC TRANSTAGANOLIDE AND BASILIOLIDE PRODUCTS, DERIVATIVES THEREOF, AND SYNTHESIS METHODS THEREOF LSS, CYP51A1, GGPS1 PTGES2 792/4885ALDH1A1 2648/4885LMNA 2337/4885

“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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