Sugi Predict

Sugi Predict / Compounds / SCHEMBL435157

SCHEMBL435157

SCHEMBL435157

COc1ccc(COCOCOCc2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.61
▸ ATM Q13315 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ PPARG P37231 1/20 0.52
▸ PPARD Q03181 1/20 0.52
▸ PPARA Q07869 1/20 0.52
▸ POLB P06746 1/20 0.50
▸ CYP19A1 P11511 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ ABCB1 P08183 2/20 0.49
▸ BLM P54132 1/20 0.49
▸ PMP22 Q01453 1/20 0.49
▸ AOC3 Q16853 1/20 0.47
▸ LDHA P00338 1/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 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
SCHEMBL2611659 0.90 CA2 (0.59) CA2ATMKDM4EALDH1A1PPARG
SCHEMBL29475007 0.90 CA2 (0.68) CA2ATMKDM4EALDH1A1PPARG
SCHEMBL318036 0.90 CA2 (0.68) CA2ATMKDM4EALDH1A1PPARG
SCHEMBL28892033 0.87 CA2 (0.47) CA2ATMKDM4EALDH1A1PPARG
SCHEMBL19145278 0.84 CA2 (0.61) CA2ATMKDM4EALDH1A1PPARG
SCHEMBL7956494 0.82 CA2 (0.59) CA2ATMKDM4EALDH1A1PPARG
SCHEMBL4336643 0.82 CA2 (0.59) CA2ATMKDM4EALDH1A1PPARG
SCHEMBL4336649 0.82 CA2 (0.59) CA2ATMKDM4EALDH1A1PPARG
SCHEMBL8073013 0.82 CA2 (0.59) CA2ATMKDM4EALDH1A1PPARG
SCHEMBL291363 0.81 CA2 (0.68) CA2ATMKDM4EALDH1A1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3645548-B1 METHODS FOR PREPARING BILE ACIDS MEDYTOX INC (KR) 2023-11-29 — — EP disclosed
US-20220009957-A1 Methods for Preparing Bile Acids MEDYTOX INC. (KR) 2022-01-13 — — US disclosed
EP-3114112-B1 CRYSTALLINE DERIVATIVES OF (S)-1-((2R,3R,4S,5S)-5-ALLYL-3-METHOXY-4-(TOSYLMETHYL)TETRAHYDROFURAN-2-YL)-3-AMINOPROPAN-2-OL ALPHORA RES INC (CA) 2021-12-15 — — EP disclosed
US-11161872-B2 Methods for preparing bile acids MEDYTOX INC. (KR) 2021-11-02 — — US disclosed
US-20200369712-A1 METHODS FOR PREPARING BILE ACIDS WUXI APPTEC (SHANGHAI) CO., LTD. (CN) 2020-11-26 — — US disclosed
EP-3640236-A1 A METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LIMITED (IE) 2020-04-22 — — EP disclosed
EP-2595948-B1 A METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LTD (IE) 2019-09-04 — — EP disclosed
US-10301274-B2 Crystalline derivatives of (S)-1-((2R,3R,4S,5S)-5-allyl-3-methoxy-4-(tosylmethyl)tetrahydrofuran-2-YL)-3-aminopropan-2-ol SANDOZ AG (CH) 2019-05-28 — — US disclosed
EP-3004036-B1 METHODS OF SYNTHESIS OF INGENOL AND INTERMEDIATES THEREOF LEO LABORATORIES LTD (IE) 2017-11-22 — — EP disclosed
US-9676698-B2 Method of producing ingenol-3-angelate LEO LABORATORIES LIMITED (IE) 2017-06-13 — — US disclosed
US-9416084-B2 Method of producing ingenol-3-angelate LEO LABORATORIES LIMITED (IE) 2016-08-16 — — US disclosed
US-20160107977-A1 METHODS OF SYNTHESIS OF INGENOL AND INTERMEDIATES THEREOF LEO LABORATORIES LIMITED (IE) 2016-04-21 — — US disclosed
EP-3004036-A1 METHODS OF SYNTHESIS OF INGENOL AND INTERMEDIATES THEREOF Leo Laboratories Limited (IE) 2016-04-13 — — EP disclosed
US-20150315118-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LIMITED (IE) 2015-11-05 — — US disclosed
WO-2015131286-A1 CRYSTALLINE DERIVATIVES OF (S)-1-((2R,3R,4S,5S)-5-ALLYL-3-METHOXY-4-(TOSYLMETHYL)TETRAHYDROFURAN-2-YL)-3-AMINOPROPAN-2-OL ALPHORA RESEARCH INC. (CA) 2015-09-11 — — WO disclosed
WO-2014191457-A1 METHODS OF SYNTHESIS OF INGENOL AND INTERMEDIATES THEREOF LEO LABORATORIES LIMITED (IE) 2014-12-04 — — WO disclosed
US-8901356-B2 Method of producing ingenol-3-angelate LEO LABORATORIES LIMITED (IE) 2014-12-02 — — US disclosed
US-20130177952-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE Hogberg, Thomas (DK) 2013-07-11 — — US disclosed
EP-2595948-A1 A METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LIMITED (IE) 2013-05-29 — — EP disclosed
WO-2012010172-A1 A METHOD OF PRODUCING INGENOL-3-ANGELATE LEO PHARMA A/S (DK) 2012-01-26 — — 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 (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-10301274-B2 Crystalline derivatives of (S)-1-((2R,3R,4S,5S)-5-allyl-3-methoxy-4-(tosylmethyl)tetrahydrofuran-2-YL)-3-aminopropan-2-ol ERLIN1, ERLIN2, MAN1B1 CA2 3906/4885ATM 1895/4885KDM4E 3278/4885
US-20150315118-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE PRKAG3, AMPD3, ERG28 CA2 1415/4885ATM 2801/4885KDM4E 3559/4885
US-20220009957-A1 Methods for Preparing Bile Acids DHCR7, CYP46A1, CYP27A1 CA2 2601/4885ATM 2813/4885KDM4E 4488/4885
US-20160107977-A1 METHODS OF SYNTHESIS OF INGENOL AND INTERMEDIATES THEREOF CYP51A1, ERG28, UTP20 CA2 1131/4885ATM 2399/4885KDM4E 2549/4885
US-20130177952-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE PRKAG3, AMPD3, ERG28 CA2 1415/4885ATM 2801/4885KDM4E 3559/4885
US-20200369712-A1 METHODS FOR PREPARING BILE ACIDS DHCR7, CYP46A1, CYP27A1 CA2 2601/4885ATM 2813/4885KDM4E 4488/4885
US-11161872-B2 Methods for preparing bile acids DHCR7, CYP46A1, CYP27A1 CA2 2601/4885ATM 2813/4885KDM4E 4488/4885

“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.