Sugi Predict

Sugi Predict / Compounds / SCHEMBL10061864

SCHEMBL10061864

SCHEMBL10061864

CC1O[C@@H](O[C@H]2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(CO)cccc2C4=O)C[C@@H](N)[C@@H]1O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.84
▸ THRB P10828 10/20 0.84
▸ KMT2A Q03164 10/20 0.84
▸ BLM P54132 9/20 0.84
▸ RECQL P46063 8/20 0.84
▸ HIF1A Q16665 7/20 0.84
▸ SMN1; SMN2 Q16637 7/20 0.84
▸ MAPT P10636 7/20 0.84
▸ BRCA1 P38398 7/20 0.84
▸ TDP1 Q9NUW8 6/20 0.84
▸ MAPK1 P28482 6/20 0.84
▸ TOP2A P11388 5/20 0.84
▸ HTT P42858 5/20 0.84
▸ STAT6 P42226 5/20 0.84
▸ CHRM1 P11229 4/20 0.84
▸ KDM4E B2RXH2 4/20 0.84
▸ ALDH1A1 P00352 4/20 0.84
▸ TBXA2R P21731 3/20 0.84
▸ ABCB1 P08183 3/20 0.84
▸ NR3C1 P04150 3/20 0.84

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
SCHEMBL10119585 1.00 MEN1 (0.84) MEN1THRBKMT2ABLMRECQL
SCHEMBL9889374 1.00 MEN1 (0.84) MEN1THRBKMT2ABLMRECQL
SCHEMBL9942593 1.00 MEN1 (0.84) MEN1THRBKMT2ABLMRECQL
SCHEMBL10061915 1.00 MEN1 (0.84) MEN1THRBKMT2ABLMRECQL
SCHEMBL9607868 1.00 MEN1 (0.84) MEN1THRBKMT2ABLMRECQL
SCHEMBL15890537 1.00 MEN1 (0.84) MEN1THRBKMT2ABLMRECQL
SCHEMBL17752025 1.00 MEN1 (0.84) MEN1THRBKMT2ABLMRECQL
SCHEMBL9607869 1.00 MEN1 (0.84) MEN1THRBKMT2ABLMRECQL
SCHEMBL94868 1.00 MEN1 (0.84) MEN1THRBKMT2ABLMRECQL
SCHEMBL9889375 1.00 MEN1 (0.84) MEN1THRBKMT2ABLMRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180177886-A1 Methods Of Treating Cancer Using Compounds Containing A Vascular Disrupting Agent ELLIPSES PHARMA LIMITED (GB) 2018-06-28 — — US disclosed
US-9956296-B2 Compounds containing a vascular disrupting agent INCANTHERA LTD (GB) 2018-05-01 — — US disclosed
US-9937267-B2 Methods of treating cancer using compounds containing a vascular disrupting agent INCANTHERA LTD (GB) 2018-04-10 — — US disclosed
US-20170266307-A1 Methods Of Treating Cancer Using Compounds Containing A Vascular Disrupting Agent ELLIPSES PHARMA LIMITED (GB) 2017-09-21 — — US disclosed
US-20160243252-A1 COMPOUNDS CONTAINING A VASCULAR DISRUPTING AGENT ELLIPSES PHARMA LIMITED (GB) 2016-08-25 — — US disclosed
US-9358303-B2 Compounds containing a vascular disrupting agent INCANTHERA LTD (GB) 2016-06-07 — — US disclosed
US-20150299241-A1 METHOD FOR PREPARING HIGHLY PURE DOXORUBICIN ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2015-10-22 — — US disclosed
US-20150196658-A1 Compounds Incanthera Ltd. 2015-07-16 — — US disclosed
US-8927486-B2 Compounds INCANTHERA LIMITED (GB) 2015-01-06 — — US disclosed
US-20140206635-A1 METAL-SALEN COMPLEX COMPOUND, LOCAL ANESTHETIC AND ANTINEOPLASTIC DRUG IHI CORPORATION (JP) 2014-07-24 — — US disclosed
US-20140179592-A1 Compounds INCANTHERA LIMITED (GB) 2014-06-26 — — US disclosed
US-20140046021-A1 SELF-MAGNETIC METAL-SALEN COMPLEX COMPOUND IHI CORPORATION (JP) 2014-02-13 — — US disclosed
US-20120029167-A1 AUTO MAGNETIC METAL SALEN COMPLEX COMPOUND YOSHIHIRO ISHIKAWA (JP) 2012-02-02 — — US disclosed
US-20110275554-A1 COMPOUNDS THE UNIVERSITY OF BRADFORD (GB) 2011-11-10 — — 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 (10 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-20150196658-A1 Compounds ADAM17, MMP3, MMP25 MEN1 2460/4885THRB 4476/4885KMT2A 2734/4885
US-20170266307-A1 Methods Of Treating Cancer Using Compounds Containing A Vascular Disrupting Agent MMP10, MMP25, MMP26 MEN1 2727/4885THRB 4484/4885KMT2A 2528/4885
US-20160243252-A1 COMPOUNDS CONTAINING A VASCULAR DISRUPTING AGENT MMP10, MMP11, MMP3 MEN1 3273/4885THRB 4755/4885KMT2A 3748/4885
US-20120029167-A1 AUTO MAGNETIC METAL SALEN COMPLEX COMPOUND SDHB, SDHA, SLC40A1 MEN1 9/4885THRB 2995/4885KMT2A 1797/4885
US-20140206635-A1 METAL-SALEN COMPLEX COMPOUND, LOCAL ANESTHETIC AND ANTINEOPLASTIC DRUG NCLN, KCNN2, NCSTN MEN1 435/4885THRB 4697/4885KMT2A 1547/4885
US-20110275554-A1 COMPOUNDS ADAM17, MMP3, MMP25 MEN1 2460/4885THRB 4476/4885KMT2A 2734/4885
US-20140046021-A1 SELF-MAGNETIC METAL-SALEN COMPLEX COMPOUND SSBP1, KCNN1, IMMT MEN1 74/4885THRB 3508/4885KMT2A 2649/4885
US-20150299241-A1 METHOD FOR PREPARING HIGHLY PURE DOXORUBICIN RAB5IF, EXOSC9, USP30 MEN1 3124/4885THRB 4872/4885KMT2A 3084/4885
US-20180177886-A1 Methods Of Treating Cancer Using Compounds Containing A Vascular Disrupting Agent MMP10, MMP25, MMP26 MEN1 2727/4885THRB 4484/4885KMT2A 2528/4885
US-20140179592-A1 Compounds MMP9, MMP3, MMP10 MEN1 2263/4885THRB 4797/4885KMT2A 2292/4885

“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.