Dihydrobetulonic Acid

Dihydrobetulonic Acid

SCHEMBL3276418

CC(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 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 19/20 0.71
▸ LMNA P02545 1/20 0.71
▸ NT5E P21589 1/20 0.71
▸ SMN1; SMN2 Q16637 1/20 0.71
▸ PRKCD Q05655 1/20 0.69

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
Dihydrobetulonic Acid SCHEMBL10061167 1.00 GPBAR1 (0.71) GPBAR1LMNANT5ESMN1; SMN2PRKCD
Dihydrobetulonic Acid SCHEMBL13908784 1.00 GPBAR1 (0.71) GPBAR1LMNANT5ESMN1; SMN2PRKCD
Dihydrobetulonic Acid SCHEMBL14414141 1.00 GPBAR1 (0.71) GPBAR1LMNANT5ESMN1; SMN2PRKCD
SCHEMBL10061168 0.91 GPBAR1 (0.59) GPBAR1LMNANT5ESMN1; SMN2PRKCD
SCHEMBL16511700 0.91 GPBAR1 (0.59) GPBAR1LMNANT5ESMN1; SMN2PRKCD
SCHEMBL13956965 0.90 GPBAR1 (0.69) GPBAR1LMNANT5ESMN1; SMN2PRKCD
Methyl Dihydrobetulonate SCHEMBL13747683 0.89 GPBAR1 (0.58) GPBAR1LMNANT5ESMN1; SMN2PRKCD
SCHEMBL13301977 0.89 GPBAR1 (0.65) GPBAR1LMNANT5ESMN1; SMN2PRKCD
SCHEMBL9891261 0.89 GPBAR1 (0.57) GPBAR1LMNANT5ESMN1; SMN2PRKCD
SCHEMBL14134447 0.89 GPBAR1 (0.65) GPBAR1LMNANT5ESMN1; SMN2PRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303058-B2 Betulonic and betulinic acid derivatives Leunis, Jean-Claude (BE) 2016-04-05 — — US disclosed
EP-1999139-B1 BETULONIC ACID ESTERS AND BETULINIC ACID POLYALKYLENE-GLYCOL DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTION AND CANCER LEUNIS JEAN-CLAUDE (BE) 2014-08-20 — — EP disclosed
US-20140066416-A1 BETULONIC AND BETULINIC ACID DERIVATIVES Leunis, Jean-Claude (BE) 2014-03-06 — — US disclosed
US-8586569-B2 Betulonic and betulinic acid derivatives Leunis, Jean-Claude (BE) 2013-11-19 — — US disclosed
WO-2011153319-A1 C-28 AMIDES OF MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-08 — — WO disclosed
US-20100087539-A1 N'--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) 2010-04-08 — — 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-20090068257-A1 BETULONIC AND BETULINIC ACID DERIVATIVES JEAN-CLAUDE LEUNIS (BE) 2009-03-12 — — US disclosed
EP-1999139-A2 BETULONIC ACID ESTERS AND BETULINIC ACID POLYALKYLENE-GLYCOL DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTION AND CANCER SNDV sprl (BE) 2008-12-10 — — EP disclosed
US-20070232577-A1 Synthetic pentacyclic triterpenoids and derivatives of betulinic acid and betulin ADVANCED LIFE SCIENCES, INC. (US) 2007-10-04 — — US disclosed
US-20070232577-A1 Synthetic pentacyclic triterpenoids and derivatives of betulinic acid and betulin ADVANCED LIFE SCIENCES, INC. (US) 2007-10-04 — — US disclosed
WO-2007112043-A2 SYNTHETIC PENTACYCLIC TRITERPENOIDS AND DERIVATIVES OF BETULINIC ACID AND BETULIN ADVANCED LIFE SCIENCES INC. (US) 2007-10-04 — — WO disclosed
WO-2007101873-A2 BETULONIC ACID ESTERS AND BETULINIC ACID POLYALKYLENE-GLYCOL DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTION AND CANCER SNDV SPRL (BE) 2007-09-13 — — WO 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 (4 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-20070232577-A1 Synthetic pentacyclic triterpenoids and derivatives of betulinic acid and betulin BET1, PGGT1B, BRCA1 GPBAR1 225/4885LMNA 4313/4885NT5E 3553/4885
US-20090068257-A1 BETULONIC AND BETULINIC ACID DERIVATIVES BET1, PGGT1B, PAG1 GPBAR1 100/4885LMNA 3136/4885NT5E 3765/4885
US-20140066416-A1 BETULONIC AND BETULINIC ACID DERIVATIVES BET1, BCAT1, PGGT1B GPBAR1 90/4885LMNA 3280/4885NT5E 3081/4885
US-20100087539-A1 N'--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 GART, DNPEP, IL4I1 GPBAR1 516/4885LMNA 2743/4885NT5E 551/4885

“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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