Betulinic Acid

Betulinic Acid

SCHEMBL4441993

C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C12

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 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
Betulinic Acid SCHEMBL3896475 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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170196890-A1 TGR5 AGONIST COMPLEXES FOR TREATING DIABETES AND CANCER CITY OF HOPE 2017-07-13 — — US disclosed
US-20170096446-A1 Extended Triterpene Derivatives MYREXIS, INC. (US) 2017-04-06 — — US disclosed
US-20170096446-A1 Extended Triterpene Derivatives MYREXIS, INC. (US) 2017-04-06 — — US disclosed
US-9505800-B2 Extended triterpene derivatives MYREXIS, INC. (US) 2016-11-29 — — US disclosed
US-9505800-B2 Extended triterpene derivatives MYREXIS, INC. (US) 2016-11-29 — — US disclosed
EP-2252154-B1 METHOD FOR MINIMIZING THE CYTOTOXICITY OF THE EFFECTIVE AGENT IN A COMPOSITION THAT IS ADMINISTERED TO A MAMMAL OR GETS INTO CONTACT WITH A MAMMAL OY GRANULA AB LTD (FI) 2016-01-27 — — EP disclosed
EP-2252155-B1 METHOD FOR MINIMIZING THE CYTOTOXICITY OF THE EFFECTIVE AGENT INHIBITING THE GROWTH OF MICRO-ORGANISMS AND FOR MAXIMIZING THE EFFECT OY GRANULA AB LTD (FI) 2016-01-27 — — EP disclosed
US-20150272922-A1 Compounds for Reducing Glucocorticoids, and Methods of Treatment Thereof BIONICHE ANIMAL HEALTH USA, INC. 2015-10-01 — — US disclosed
US-20150272922-A1 Compounds for Reducing Glucocorticoids, and Methods of Treatment Thereof BIONICHE ANIMAL HEALTH USA, INC. 2015-10-01 — — US disclosed
US-9012666-B2 Method for producing 30-halogenated betulinic acid WENZHOU UNIVERSITY (CN) 2015-04-21 — — US disclosed
US-20090275583-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2009-11-05 — — US disclosed
EP-2088152-A1 N'-{N-[3-OXO-LUPEN-28-OYL]-9-AMINONONANOYL}-3-AMINO-3-PHENYLPROPEONIC ACID AND THE PHARMACEUTICALLY ACCEPTABLE DERIVATIVES THEREOF, A METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF A MEDICINAL AGENT Institut Neftekhimii I Kataliza Rossiiskoi Akademii Nauk (RU) 2009-08-12 — — EP disclosed
US-20090105203-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS MYRIAD GENETICS, INCORPORATED (US) 2009-04-23 — — US disclosed
US-20080207573-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS MYRIAD GENETICS, INCORPORATED (US) 2008-08-28 — — US disclosed
US-7414042-B2 Method and composition for selectively inhibiting melanoma THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-08-19 — — US disclosed
US-7414042-B2 Method and composition for selectively inhibiting melanoma THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-08-19 — — US disclosed
WO-2007141389-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2007-12-13 — — WO disclosed
WO-2007141392-A2 COMPOSITIONS COMPRISING BETULONIC ACID VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2007-12-13 — — WO disclosed
WO-2007141391-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIPROTOZOAL AGENTS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2007-12-13 — — WO disclosed
US-20070160691-A1 Pharmaceutical composition for treating and preventing cancer comprising cinnamoni cortex extract and zizyphi fructus extract KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECH (KR) 2007-07-12 — — 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 (7 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-20170096446-A1 Extended Triterpene Derivatives BET1, PGGT1B, TMPO RORC 62/4885PTPN1 4535/4885GPBAR1 380/4885
US-20070160691-A1 Pharmaceutical composition for treating and preventing cancer comprising cinnamoni cortex extract and zizyphi fructus extract CASP3, BAX, NFATC1 RORC 947/4885PTPN1 2247/4885GPBAR1 3855/4885
US-20090105203-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS HAVCR2, MAVS, CCL11 RORC 41/4885PTPN1 3699/4885GPBAR1 1220/4885
US-20150272922-A1 Compounds for Reducing Glucocorticoids, and Methods of Treatment Thereof NR3C1, NR5A1, NR3C2 RORC 953/4885PTPN1 855/4885GPBAR1 230/4885
US-20170196890-A1 TGR5 AGONIST COMPLEXES FOR TREATING DIABETES AND CANCER GLP1R, GCGR, GPR119 RORC 2046/4885PTPN1 1960/4885GPBAR1 6/4885
US-20080207573-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS HAVCR2, MAVS, CCL11 RORC 41/4885PTPN1 3699/4885GPBAR1 1220/4885
US-20090275583-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MAVS, ZC3HAV1, EIF2AK2 RORC 514/4885PTPN1 3468/4885GPBAR1 3262/4885

“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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