SCHEMBL2831166

SCHEMBL2831166

CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@H]([C@H](C)CCCC(C)C)[C@@]5(C)CC[C@@H]43)C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.61
POLA1 P09884 1/20 0.55
CYP46A1 Q9Y6A2 2/20 0.54
PLA2G2A P14555 1/20 0.51
POLB P06746 1/20 0.51
USP2 O75604 2/20 0.50
LMNA P02545 1/20 0.50
ABCB1 P08183 1/20 0.50
OSBP P22059 1/20 0.50
RORC P51449 1/20 0.50
OSBP2 Q969R2 1/20 0.50
CYP1A2 P05177 1/20 0.47
GBA1 P04062 2/20 0.47
UGCG Q16739 2/20 0.47
GBA2 Q9HCG7 2/20 0.47
NPC1L1 Q9UHC9 2/20 0.47
NR1H3 Q13133 2/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL2831165 1.00 DPP4 (0.61) DPP4POLA1CYP46A1PLA2G2APOLB
SCHEMBL2833131 0.97 DPP4 (0.59) DPP4POLA1CYP46A1PLA2G2APOLB
SCHEMBL10360417 0.92 POLA1 (0.61) DPP4POLA1CYP46A1PLA2G2APOLB
SCHEMBL10360419 0.92 POLA1 (0.61) DPP4POLA1CYP46A1PLA2G2APOLB
SCHEMBL10495770 0.92 POLA1 (0.61) DPP4POLA1CYP46A1PLA2G2APOLB
SCHEMBL16178409 0.92 POLA1 (0.61) DPP4POLA1CYP46A1PLA2G2APOLB
SCHEMBL10495767 0.92 POLA1 (0.61) DPP4POLA1CYP46A1PLA2G2APOLB
SCHEMBL5260401 0.89 DPP4 (0.76) DPP4POLA1CYP46A1PLA2G2APOLB
SCHEMBL9978599 0.89 DPP4 (0.76) DPP4POLA1CYP46A1PLA2G2APOLB
SCHEMBL9978550 0.89 DPP4 (0.76) DPP4POLA1CYP46A1PLA2G2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100062023-A1 CHOLESTEROL-CONTAINING COMPOUNDS AND THEIR USE AS IMMUNOGENS AGAINST BORRELIA BURGDORFERI The Government of the United States of America as represented by the Secretary, Department of 2010-03-11 US disclosed
US-7666846-B2 a conjugate of chloesterol containing compound having a sugar moiety containing methyl esteralkyleneazide group and a carrier protein; produce an effective vaccine to prevent Lyme disease THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-02-23 US disclosed
EP-2030979-A1 Cholesterol-containing compounds and their use as immunogens against borrelia burgdorferi The Government of the United States of America as Represented by The Department of Health and Human Services (US) 2009-03-04 EP disclosed
EP-1613641-B1 CHOLESTEROL-CONTAINING COMPOUNDS AND THEIR USE AS IMMUNOGENS AGAINST BORRELIA BURGDORFERI US GOV HEALTH & HUMAN SERV (US) 2009-01-14 EP disclosed
US-20060204515-A1 Cholesterol-containing compounds and their use as immunogens against borrelia burgdorferi THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2006-09-14 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-20060204515-A1 Cholesterol-containing compounds and their use as immunogens against borrelia burgdorferi LCAT, APOB, CETP DPP4 2742/4885POLA1 4388/4885CYP46A1 10/4885
US-20100062023-A1 CHOLESTEROL-CONTAINING COMPOUNDS AND THEIR USE AS IMMUNOGENS AGAINST BORRELIA BURGDORFERI LCAT, APOB, CETP DPP4 2742/4885POLA1 4388/4885CYP46A1 10/4885

“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.