SCHEMBL209612

SCHEMBL209612

CCCCOC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 10/20 0.71
▸ SIRT1 Q96EB6 8/20 0.71
▸ FOLH1 Q04609 3/20 0.67
▸ TGM2 P21980 2/20 0.63
▸ SIRT3 Q9NTG7 4/20 0.62
▸ CTSL P07711 1/20 0.59
▸ CTSS P25774 1/20 0.59
▸ ITGB3 P05106 1/20 0.59
▸ ITGAV P06756 1/20 0.59
▸ CPB1 P15086 1/20 0.59
▸ CPB2 Q96IY4 1/20 0.59

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
SCHEMBL2691897 0.97 SIRT2 (0.67) SIRT2SIRT1FOLH1TGM2SIRT3
SCHEMBL14357907 0.93 SIRT2 (0.72) SIRT2SIRT1FOLH1SIRT3CTSL
SCHEMBL4561005 0.91 FOLH1 (0.78) SIRT2SIRT1FOLH1TGM2ITGB3
SCHEMBL806151 0.91 FOLH1 (0.78) SIRT2SIRT1FOLH1TGM2ITGB3
SCHEMBL464715 0.91 FOLH1 (0.78) SIRT2SIRT1FOLH1TGM2ITGB3
SCHEMBL20545282 0.89 SIRT2 (0.69) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL20542673 0.89 SIRT2 (0.69) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL20542671 0.89 SIRT2 (0.69) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL20542972 0.89 SIRT2 (0.69) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL4173691 0.87 FOLH1 (0.72) SIRT2SIRT1FOLH1TGM2ITGB3

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-8865935-B2 Purification methods for betulonic acid and Boc-lysinated betulonic acid, and organic synthesis of betulonic acid amides with piperazine derivatives KOREA INSTITUTE OF ENERGY RESEARCH (KR) 2014-10-21 — — US disclosed
US-20140243527-A1 PURIFICATION METHODS FOR BETULONIC ACID AND BOC-LYSINATED BETULONIC ACID, AND ORGANIC SYNTHESIS OF BETULONIC ACID AMIDES WITH PIPERAZINE DERIVATIVES KOREA INSTITUTE OF ENERGY RESEARCH (KR) 2014-08-28 — — US disclosed
US-8088757-B2 Betulinol derivatives as anti-cancer agents BIORINGS LLC (US) 2012-01-03 — — US disclosed
US-8008280-B2 Betulinol derivatives as anti-HIV agents BIORINGS LLC (US) 2011-08-30 — — US disclosed
US-20090176753-A1 Betulinol derivatives as anti-cancer agents SAXENA RESEARCH, LLC 2009-07-09 — — US disclosed
US-20080286291-A1 Betulinol Derivatives as Anti-Hiv Agents SAXENA RESEARCH, LLC 2008-11-20 — — US disclosed
EP-1786433-A4 BETULINOL DERIVATIVES AS ANTI-HIV AGENTS SAXENA BRIJ B (US) 2008-02-27 — — EP disclosed
EP-1802648-A2 BETULINOL DERIVATIVES AS ANTI-CANCER AGENTS CORNELL RESEARCH FOUNDATION, INC. (US) 2007-07-04 — — EP disclosed
EP-1786433-A2 BETULINOL DERIVATIVES AS ANTI-HIV AGENTS CORNELL RESEARCH FOUNDATION, INC. (US) 2007-05-23 — — EP disclosed
US-20060154903-A1 Betulinol derivatives as anti-cancer agents CORNELL RESEARCH FOUNDATION, INC. (US) 2006-07-13 — — US disclosed
US-20060154904-A1 Betulinol derivatives as anti-HIV agents CORNELL RESEARCH FOUNDATION, INC. (US) 2006-07-13 — — US disclosed
WO-2006031756-A2 BETULINOL DERIVATIVES AS ANTI-CANCER AGENTS CORNELL RESEARCH FOUNDATION, INC (US) 2006-03-23 — — WO disclosed
WO-2006031706-A2 BETULINOL DERIVATIVES AS ANTI-HIV AGENTS CORNELL RESEARCH FOUNDATION, INC (US) 2006-03-23 — — 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 (5 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-20090176753-A1 Betulinol derivatives as anti-cancer agents BET1, BRDT, BRCA1 SIRT2 646/4885SIRT1 551/4885FOLH1 63/4885
US-20060154903-A1 Betulinol derivatives as anti-cancer agents BET1, BRDT, BRCA1 SIRT2 611/4885SIRT1 639/4885FOLH1 70/4885
US-20140243527-A1 PURIFICATION METHODS FOR BETULONIC ACID AND BOC-LYSINATED BETULONIC ACID, AND ORGANIC SYNTHESIS OF BETULONIC ACID AMIDES WITH PIPERAZINE DERIVATIVES BET1, LOX, BECN1 SIRT2 1074/4885SIRT1 821/4885FOLH1 1059/4885
US-20060154904-A1 Betulinol derivatives as anti-HIV agents BET1, NFATC1, CD4 SIRT2 1065/4885SIRT1 834/4885FOLH1 2197/4885
US-20080286291-A1 Betulinol Derivatives as Anti-Hiv Agents BET1, NFATC1, CD4 SIRT2 1065/4885SIRT1 834/4885FOLH1 2197/4885

“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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