SCHEMBL962020

SCHEMBL962020

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

nearest known ligand 0.87

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NT5E P21589 9/20 0.81
PRKCD Q05655 1/20 0.81
PRKCG P05129 2/20 0.79
CETP P11597 1/20 0.78
PTPN1 P18031 3/20 0.77
USP2 O75604 1/20 0.76
LMNA P02545 1/20 0.76
HIF1A Q16665 1/20 0.76
AKR1B10 O60218 1/20 0.76
ALB P02768 1/20 0.76
POLB P06746 1/20 0.76
GLI1 P08151 1/20 0.76
AKR1B1 P15121 1/20 0.76
DPP4 P27487 1/20 0.76
RORC P51449 1/20 0.76
GPBAR1 Q8TDU6 1/20 0.76
SAE1 Q9UBE0 1/20 0.76
UBA2 Q9UBT2 1/20 0.76

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
SCHEMBL25749156 1.00 NT5E (0.81) NT5EPRKCDPRKCGCETPPTPN1
SCHEMBL16671401 1.00 NT5E (0.81) NT5EPRKCDPRKCGCETPPTPN1
SCHEMBL10214498 1.00 NT5E (0.81) NT5EPRKCDPRKCGCETPPTPN1
SCHEMBL9127145 1.00 NT5E (0.81) NT5EPRKCDPRKCGCETPPTPN1
SCHEMBL10214450 1.00 NT5E (0.81) NT5EPRKCDPRKCGCETPPTPN1
SCHEMBL13890817 1.00 NT5E (0.81) NT5EPRKCDPRKCGCETPPTPN1
SCHEMBL23626136 1.00 NT5E (0.81) NT5EPRKCDPRKCGCETPPTPN1
SCHEMBL13637670 1.00 NT5E (0.81) NT5EPRKCDPRKCGCETPPTPN1
SCHEMBL960045 1.00 NT5E (0.81) NT5EPRKCDPRKCGCETPPTPN1
SCHEMBL12557823 1.00 NT5E (0.81) NT5EPRKCDPRKCGCETPPTPN1

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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015196-A1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-01-20 US claimed
US-20040087560-A1 Leukemia; anticancer agents; antiproliferative agents UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2004-05-06 US claimed
EP-1292562-A1 TRITERPENOID DERIVATIVES Univerzita palackeho V Olomouci (CZ) 2003-03-19 EP claimed
US-6369109-B1 Betulinic acid and derivatives thereof useful for the treatment of neuroectodermal tumor DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OFFENTLICHEN RECHTS (DE) 2002-04-09 US claimed
WO-2001090046-A1 TRITERPENOID DERIVATIVES UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2001-11-29 WO claimed
EP-1124842-A1 BETULINIC ACID AND DERIVATIVES THEREOF USEFUL FOR THE TREATMENT OF NEUROECTODERMAL TUMORS Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2001-08-22 EP claimed
WO-2000024762-A1 BETULINIC ACID AND DERIVATIVES THEREOF USEFUL FOR THE TREATMENT OF NEUROECTODERMAL TUMORS Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2000-05-04 WO claimed
WO-1998043936-A2 IMPROVED METHODS OF MANUFACTURING BETULINIC ACID THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1998-10-08 WO claimed
US-5804575-A Methods of manufacturing betulinic acid THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1998-09-08 US claimed
US-20250214954-A1 METHODS OF TREATING HIV USING TRITERPENE DERIVATIVES HETERO LABS LIMITED (IN) 2025-07-03 US disclosed
US-12275712-B2 Triterpene derivatives as HIV inhibitors HETERO LABS LIMITED (IN) 2025-04-15 US disclosed
EP-4248960-A2 NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS Hetero Labs Limited (IN) 2023-09-27 EP disclosed
EP-3924361-B1 NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS HETERO LABS LTD (IN) 2023-09-06 EP disclosed
EP-3924361-B1 NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS HETERO LABS LTD (IN) 2023-09-06 EP disclosed
US-6369109-B1 Betulinic acid and derivatives thereof useful for the treatment of neuroectodermal tumor DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OFFENTLICHEN RECHTS (DE) 2002-04-09 US disclosed
EP-1124842-A1 BETULINIC ACID AND DERIVATIVES THEREOF USEFUL FOR THE TREATMENT OF NEUROECTODERMAL TUMORS Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2001-08-22 EP disclosed
WO-2000024762-A1 BETULINIC ACID AND DERIVATIVES THEREOF USEFUL FOR THE TREATMENT OF NEUROECTODERMAL TUMORS Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2000-05-04 WO disclosed
WO-1998043936-A2 IMPROVED METHODS OF MANUFACTURING BETULINIC ACID THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1998-10-08 WO disclosed
US-5804575-A Methods of manufacturing betulinic acid THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1998-09-08 US disclosed
US-5468888-A Lupane derivatives, their preparation and the pharmaceutical compositions which contain them RHONE-POULENC RORER S.A. (FR) 1995-11-21 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 (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-20110015196-A1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS MAVS, IRF3, LSS NT5E 1020/4885PRKCD 1630/4885PRKCG 2513/4885
US-12275712-B2 Triterpene derivatives as HIV inhibitors CCR5, CYP51A1, CYP4A11 NT5E 3028/4885PRKCD 1338/4885PRKCG 2508/4885
US-20040087560-A1 Leukemia; anticancer agents; antiproliferative agents MCL1, MKI67, CCNA1 NT5E 3968/4885PRKCD 1782/4885PRKCG 1274/4885
US-20250214954-A1 METHODS OF TREATING HIV USING TRITERPENE DERIVATIVES CCR5, HSD17B7, CYP51A1 NT5E 2961/4885PRKCD 2062/4885PRKCG 2866/4885

“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.