Sugi Predict

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SCHEMBL430043

SCHEMBL430043

C[Si](C)(C)Cc1ccc(COCc2ccc(C[Si](C)(C)C)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.62
▸ TSHR P16473 1/20 0.46
▸ KCNH2 Q12809 1/20 0.38
▸ AGXT P21549 5/20 0.34
▸ LYPLA1 O75608 1/20 0.33
▸ LYPLA2 O95372 1/20 0.33
▸ IDO1 P14902 7/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ HDAC4 P56524 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL6506604 0.91 TSHR (0.62) ESR1TSHRAGXTLYPLA1LYPLA2
SCHEMBL3949041 0.84 ESR1 (0.74) ESR1IDO1
SCHEMBL6507494 0.79 L3MBTL1 (0.49) ESR1TSHRKCNH2TDP1L3MBTL1
SCHEMBL6508803 0.79 ESR1 (0.46) ESR1KCNH2AGXTCA1CA2
SCHEMBL6507918 0.78 ESR1 (0.48) ESR1TDP1L3MBTL1
SCHEMBL10712863 0.77 ESR1 (1.00) ESR1IDO1CA1CA2L3MBTL1
SCHEMBL6508968 0.76 L3MBTL1 (0.57) ESR1TSHRKCNH2IDO1TDP1
SCHEMBL6508614 0.75 ESR1 (0.42) ESR1TDP1L3MBTL1
SCHEMBL986310 0.74 ESR1 (0.61) ESR1AGXTIDO1CA1CA2
SCHEMBL19065738 0.72 ESR1 (0.58) ESR1IDO1

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 22 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
CN-111328332-B Process for the preparation of bile acids 玫帝托克斯股份有限公司 2023-01-24 — — CN disclosed
US-20220009957-A1 Methods for Preparing Bile Acids MEDYTOX INC. (KR) 2022-01-13 — — US 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
CN-111328332-A Process for the preparation of bile acids 玫帝托克斯股份有限公司 2020-06-23 — — CN disclosed
EP-3645548-A1 METHODS FOR PREPARING BILE ACIDS Medytox Inc. (KR) 2020-05-06 — — EP 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
WO-2019024920-A1 METHODS FOR PREPARING BILE ACIDS MEDYTOX INC. (KR) 2019-02-07 — — WO disclosed
US-20160280627-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LIMITED (IE) 2016-09-29 — — 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-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-20150315118-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE PRKAG3, AMPD3, ERG28 ESR1 444/4885TSHR 2588/4885KCNH2 2295/4885
US-20220009957-A1 Methods for Preparing Bile Acids DHCR7, CYP46A1, CYP27A1 ESR1 2727/4885TSHR 3365/4885KCNH2 4741/4885
US-20160107977-A1 METHODS OF SYNTHESIS OF INGENOL AND INTERMEDIATES THEREOF CYP51A1, ERG28, UTP20 ESR1 534/4885TSHR 2376/4885KCNH2 3517/4885
US-20130177952-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE PRKAG3, AMPD3, ERG28 ESR1 444/4885TSHR 2588/4885KCNH2 2295/4885
US-20160280627-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE PRKAG3, AMPD3, ERG28 ESR1 444/4885TSHR 2588/4885KCNH2 2295/4885
US-20200369712-A1 METHODS FOR PREPARING BILE ACIDS DHCR7, CYP46A1, CYP27A1 ESR1 2727/4885TSHR 3365/4885KCNH2 4741/4885
US-11161872-B2 Methods for preparing bile acids DHCR7, CYP46A1, CYP27A1 ESR1 2727/4885TSHR 3365/4885KCNH2 4741/4885

“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.