SCHEMBL94868

SCHEMBL94868

CC1OC(O[C@H]2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(CO)cccc2C4=O)CC(N)C1O

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
SCHEMBL10061864 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
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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150093398-A1 Methods and Compositions for Treating or Preventing Cancer MERCK SHARP & DOHME (US) 2015-04-02 US disclosed
US-20130243692-A1 FDG-PET EVALUATION OF EWING'S SARCOMA SENSITIVITY MERCK SHARP & DOHME CORP. (US) 2013-09-19 US disclosed
US-8470297-B1 FDG-pet evaluation of Ewing's sarcoma sensitivity MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-20120244193-A1 PASSIVE SOLID TUMOR TARGETING ANTICANCER PRODRUG AND PREPARATION METHOD THEREOF CHONGQING LUMMY PHARMACEUTICAL CO., LTD. (CN) 2012-09-27 US disclosed
US-20120058112-A1 ANTIBODIES MERCK SHARP & DOHME CORP. 2012-03-08 US disclosed
US-20110262525-A1 METHODS OF TREATMENT SCHERING CORPORATION (US) 2011-10-27 US disclosed
US-20110091524-A1 BIOMARKERS FOR SENSITIVITY TO ANTI-IGF1R THERAPY MERCK SHARP & DOHME CORP. 2011-04-21 US disclosed
US-20110014117-A1 ANTI-IGF1R SCHERING CORPORATION 2011-01-20 US disclosed
US-20110009387-A1 HISTONE H2AX (HH2AX) BIOMARKER FOR FTI SENSITIVITY SCHERING CORPORATION 2011-01-13 US disclosed
US-20100240594-A1 TARGETED DELIVERY OF CHEMOTHERAPEUTIC AGENTS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-09-23 US disclosed
US-7754874-B2 Have significantly enhanced cytotoxic potency toward human cancer cells and tumor-specificity, are less potent Na+/K+-ATPase inhibitors in a human cell line than digitoxin WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-07-13 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 (9 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-20130243692-A1 FDG-PET EVALUATION OF EWING'S SARCOMA SENSITIVITY IGF1R, IRS1, EWSR1 MEN1 452/4885THRB 281/4885KMT2A 2105/4885
US-20120244193-A1 PASSIVE SOLID TUMOR TARGETING ANTICANCER PRODRUG AND PREPARATION METHOD THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-0, H1-4 MEN1 2980/4885THRB 4766/4885KMT2A 1121/4885
US-20110014117-A1 ANTI-IGF1R IGF1R, IGFBP1, IGFBP2 MEN1 780/4885THRB 51/4885KMT2A 3952/4885
US-20120058112-A1 ANTIBODIES IGF1R, EGFR, ERBB3 MEN1 609/4885THRB 431/4885KMT2A 576/4885
US-20110009387-A1 HISTONE H2AX (HH2AX) BIOMARKER FOR FTI SENSITIVITY TERF2IP, TERF2, DOT1L MEN1 373/4885THRB 1144/4885KMT2A 39/4885
US-20110262525-A1 METHODS OF TREATMENT ASAH2, FOLH1, CD44 MEN1 1217/4885THRB 3050/4885KMT2A 2834/4885
US-20110091524-A1 BIOMARKERS FOR SENSITIVITY TO ANTI-IGF1R THERAPY IGF1R, IGFBP1, IGFBP2 MEN1 552/4885THRB 76/4885KMT2A 2771/4885
US-20150093398-A1 Methods and Compositions for Treating or Preventing Cancer BRCA1, VHL, TP53 MEN1 1251/4885THRB 4593/4885KMT2A 2332/4885
US-20100240594-A1 TARGETED DELIVERY OF CHEMOTHERAPEUTIC AGENTS TP53, TOP2A, MCL1 MEN1 1871/4885THRB 4508/4885KMT2A 2799/4885

“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.