Betulinic Acid

Betulinic Acid

SCHEMBL3896475

C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 4/20 1.00
▸ PTPN1 P18031 3/20 1.00
▸ GPBAR1 Q8TDU6 3/20 1.00
▸ ALB P02768 3/20 1.00
▸ GLI1 P08151 2/20 1.00
▸ USP2 O75604 2/20 1.00
▸ LMNA P02545 2/20 1.00
▸ HIF1A Q16665 2/20 1.00
▸ AKR1B10 O60218 1/20 1.00
▸ POLB P06746 1/20 1.00
▸ AKR1B1 P15121 1/20 1.00
▸ NT5E P21589 1/20 1.00
▸ DPP4 P27487 1/20 1.00
▸ SAE1 Q9UBE0 1/20 1.00
▸ UBA2 Q9UBT2 1/20 1.00
▸ EGLN2 Q96KS0 1/20 0.82
▸ EGLN1 Q9GZT9 1/20 0.82
▸ EGLN3 Q9H6Z9 1/20 0.82
▸ P4HTM Q9NXG6 1/20 0.82
▸ CES2 O00748 2/20 0.80

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
Betulinic Acid SCHEMBL14436762 1.00 RORC (1.00) RORCPTPN1GPBAR1ALBGLI1
Betulinic Acid SCHEMBL3525115 1.00 RORC (1.00) RORCPTPN1GPBAR1ALBGLI1
Betulinic Acid SCHEMBL13814590 1.00 RORC (1.00) RORCPTPN1GPBAR1ALBGLI1
Betulinic Acid SCHEMBL4441993 1.00 RORC (1.00) RORCPTPN1GPBAR1ALBGLI1
Betulinic Acid SCHEMBL10015159 1.00 RORC (1.00) RORCPTPN1GPBAR1ALBGLI1
Betulinic Acid SCHEMBL13637571 1.00 RORC (1.00) RORCPTPN1GPBAR1ALBGLI1
Betulinic Acid SCHEMBL23132693 1.00 RORC (1.00) RORCPTPN1GPBAR1ALBGLI1
Betulinic Acid SCHEMBL9110960 1.00 RORC (1.00) RORCPTPN1GPBAR1ALBGLI1
Betulinic Acid SCHEMBL22251646 1.00 RORC (1.00) RORCPTPN1GPBAR1ALBGLI1
Betulinic Acid SCHEMBL21264235 1.00 RORC (1.00) RORCPTPN1GPBAR1ALBGLI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026902-A1 Methods and compositions for the treatment or prevention of human immunodeficiency virus and related conditions using cyclooxygenase-2 selective inhibitors and antiviral agents PHARMACIA CORPORATION 2005-02-03 — — US claimed
WO-2019153816-A1 APPLICATION OF CHAENOMELES SPECIOSA BETULINIC ACID IN PREPARATION OF ANTI-HYPERTENSION MYOCARDIAL FIBROSIS MEDICINES 南方医科大学 2019-08-15 — — WO disclosed
US-8642094-B2 Synergistic pharmaceutical composition, method of making same and use of same AFEXA LIFE SCIENCES INC. (CA) 2014-02-04 — — US disclosed
US-20090285915-A1 SYNERGISTIC PHARMACEUTICAL COMPOSITION, METHOD OF MAKING SAME AND USE OF SAME AFEXA LIFE SCIENCES INC. (CA) 2009-11-19 — — US disclosed
WO-2009133458-A1 PHARMACEUTICAL COMPOSITION COMPRISING EXTRACTS OF HUANGLIAN AND KU DING CHA EFFECTIVE FOR LOWERING BLOOD LIPID LEVELS AFEXA LIFE SCIENCES INC. (CA) 2009-11-05 — — WO disclosed
US-20090186358-A1 Pathway Analysis of Cell Culture Phenotypes and Uses Thereof WYETH (US) 2009-07-23 — — US disclosed
US-7429565-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-09-30 — — US disclosed
US-7429565-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-09-30 — — US disclosed
US-20040097436-A1 Triterpenes having antibacterial activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2004-05-20 — — US disclosed
US-6642217-B2 Treating a fungal or yeast infection such as with betulin, allobetulin, and lupeol NATURTEK, LLC 2003-11-04 — — US disclosed
US-20020128210-A1 Triterpenes having human antifungal and antiyeast activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-09-12 — — 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 (3 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-20020128210-A1 Triterpenes having human antifungal and antiyeast activity ERG28, LSS, MANBA RORC 682/4885PTPN1 4365/4885GPBAR1 2901/4885
US-20040097436-A1 Triterpenes having antibacterial activity BET1, PGGT1B, LSS RORC 173/4885PTPN1 3492/4885GPBAR1 819/4885
US-20050026902-A1 Methods and compositions for the treatment or prevention of human immunodeficiency virus and related conditions using cyclooxygenase-2 selective inhibitors and antiviral agents PTGS2, PTGS1, PTGES2 RORC 1521/4885PTPN1 1588/4885GPBAR1 1508/4885

“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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