Sugi Predict

Sugi Predict / Compounds / SCHEMBL248564

SCHEMBL248564

SCHEMBL248564

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(NNC2CC(O[C@H]3C[C@](O)(C(C)=O)Cc4c(O)c5c(c(O)c43)C(=O)c3c(OC)cccc3C5=O)OC(C)C2O)C(O)C(C)O1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S100A4 P26447 6/20 0.85
▸ MEN1 O00255 9/20 0.83
▸ THRB P10828 9/20 0.83
▸ KMT2A Q03164 9/20 0.83
▸ BLM P54132 8/20 0.83
▸ RECQL P46063 7/20 0.83
▸ BRCA1 P38398 6/20 0.83
▸ SMN1; SMN2 Q16637 6/20 0.83
▸ HIF1A Q16665 6/20 0.83
▸ MAPT P10636 6/20 0.83
▸ TDP1 Q9NUW8 6/20 0.83
▸ CYP3A4 P08684 4/20 0.83
▸ USP2 O75604 4/20 0.83
▸ MAPK1 P28482 4/20 0.83
▸ TOP2A P11388 4/20 0.83
▸ HTT P42858 4/20 0.83
▸ CYP1A2 P05177 3/20 0.83
▸ CHRM1 P11229 3/20 0.83
▸ TBXA2R P21731 3/20 0.83
▸ KDM4E B2RXH2 3/20 0.83

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
Hydrochloric Acid SCHEMBL331063 0.99 S100A4 (0.84) S100A4MEN1THRBKMT2ABLM
Hydrochloric Acid SCHEMBL28160744 0.99 S100A4 (0.84) S100A4MEN1THRBKMT2ABLM
SCHEMBL147968 0.95 MEN1 (0.79) S100A4MEN1THRBKMT2ABLM
SCHEMBL10426303 0.95 MEN1 (0.80) S100A4MEN1THRBKMT2ABLM
SCHEMBL15200953 0.95 S100A4 (0.82) S100A4MEN1THRBKMT2ABLM
SCHEMBL22717046 0.95 S100A4 (0.82) S100A4MEN1THRBKMT2ABLM
SCHEMBL13943294 0.95 S100A4 (0.84) S100A4MEN1THRBKMT2ABLM
SCHEMBL14164316 0.95 S100A4 (0.84) S100A4MEN1THRBKMT2ABLM
SCHEMBL3763974 0.95 S100A4 (0.84) S100A4MEN1THRBKMT2ABLM
SCHEMBL10968257 0.95 S100A4 (0.84) S100A4MEN1THRBKMT2ABLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114746753-A Correlating AKR1C3 enzyme expression level through prostaglandin content and screening administration application 深圳艾欣达伟医药科技有限公司 2022-07-12 — — CN claimed
CN-112904026-A Correlating AKR1C3 enzyme expression level through prostaglandin content and screening administration application 深圳艾欣达伟医药科技有限公司 2021-06-04 — — CN claimed
CN-103796678-B For HER2 bispecific antibody 健玛保 2018-02-27 — — CN claimed
US-20100203110-A1 Therapeutics for Cancer Using 3-Bromopyruvate and Other Selective Inhibitors of ATP Production THE JOHNS HOPKINS UNIVERSITY (US) 2010-08-12 — — US claimed
CN-100490850-C Application of magnolia vine fruit in preparation of anti-tumor medicine or multi-medicine tolerant reversal agent HU XUN NINGBO YINGNUO PHARMACE (CN) 2009-05-27 — — CN claimed
WO-2007109178-A9 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS INC (US) 2008-10-16 — — WO claimed
WO-2007109178-A2 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2007-09-27 — — WO claimed
CN-1833636-A Application of biphenyl cyclooctadiene lignin in treatment of tumour medicine HU XUN (CN) 2006-09-20 — — CN claimed
CN-1762450-A Application of magnolia vine fruit in preparation of anti-tumor medicine or multi-medicine tolerant reversal agent HU XUN (CN) 2006-04-26 — — CN claimed
CN-1236758-C Slow-releasing injection contg. hydrocastor oil/medicine (for treatment) solid dispersion microparticle WANG YUWAN (CN) 2006-01-18 — — CN claimed
CN-1461639-A Slow-releasing injection contg. hydrocastor oil/medicine (for treatment) solid dispersion microparticle WANG YUWAN (CN) 2003-12-17 — — CN claimed
US-20240092902-A1 METHODS FOR TREATING CANCER OR INFECTION USING A COMBINATION OF AN ANTI-PD-1 ANTIBODY, AN ANTI-LAG3 ANTIBODY, AND AN ANTI-TIGIT ANTIBODY MERCK SHARP & DOHME LLC (US) 2024-03-21 — — US disclosed
WO-2023174352-A1 CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF 北京药明博锐生物科技有限公司 2023-09-21 — — WO disclosed
CN-115943164-A Conditionally active anti-HER 2 antibodies, antibody fragments, immunoconjugates thereof and uses thereof 生物蛋白有限公司 2023-04-07 — — CN disclosed
US-20230092707-A1 METHODS FOR TREATING CANCER OR INFECTION USING A COMBINATION OF AN ANTI-PD-1 ANTIBODY, AN ANTI-CTLA4 ANTIBODY, AND AN ANTI-TIGIT ANTIBODY MERCK SHARP & DOHME LLC (US) 2023-03-23 — — US disclosed
US-6063396-A POLYMER MATRIX HOUSTON BIOTECHNOLOGY INCORPORATED (US) 2000-05-16 — — US disclosed
CN-1038013-C Filter bar for cigarette and its production ZHENG QILAN (CN) 1998-04-15 — — CN disclosed
US-5618553-A CONTACTING LOCALIZED REGION OF EYE WITH POLYMER IMPLANT HAVING REVERSIBLY ASSOCIATED MODULATING AGENT WHICH IS RELEASED AT RATE SUCH THAT TARGET CELLS ARE PRIMARILY AFFECTED HOUSTON BIOTECHNOLOGY INCORPORATED (US) 1997-04-08 — — US disclosed
CN-1101241-A Filter bar for cigarette and its production ZHENG QILAN (CN) 1995-04-12 — — CN disclosed
US-4093607-A ANTITUMOR ANTIBODY, ANTICANCER DRUG YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1978-06-06 — — 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 (1 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-20100203110-A1 Therapeutics for Cancer Using 3-Bromopyruvate and Other Selective Inhibitors of ATP Production HK2, GCK, HK1 S100A4 4073/4885MEN1 2065/4885THRB 2083/4885

“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.