SCHEMBL399353

SCHEMBL399353

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.75
KMT2A Q03164 8/20 0.75
THRB P10828 7/20 0.75
BLM P54132 7/20 0.75
RECQL P46063 6/20 0.75
HIF1A Q16665 6/20 0.75
SMN1; SMN2 Q16637 6/20 0.75
TDP1 Q9NUW8 5/20 0.75
TOP2A P11388 5/20 0.75
BRCA1 P38398 5/20 0.75
MAPT P10636 5/20 0.75
MAPK1 P28482 4/20 0.75
CHRM1 P11229 3/20 0.75
TBXA2R P21731 3/20 0.75
KDM4E B2RXH2 3/20 0.75
ALDH1A1 P00352 3/20 0.75
ABCB1 P08183 3/20 0.75
PTGS1 P23219 3/20 0.75
STAT6 P42226 3/20 0.75
HTT P42858 3/20 0.75

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
SCHEMBL147968 0.97 MEN1 (0.79) MEN1KMT2ATHRBBLMRECQL
SCHEMBL43830 0.94 MEN1 (0.83) MEN1KMT2ATHRBBLMRECQL
Hydrochloric Acid SCHEMBL27900762 0.94 MEN1 (0.83) MEN1KMT2ATHRBBLMRECQL
Hydrochloric Acid SCHEMBL1771543 0.94 MEN1 (0.83) MEN1KMT2ATHRBBLMRECQL
SCHEMBL248564 0.92 S100A4 (0.85) MEN1KMT2ATHRBBLMRECQL
Hydrochloric Acid SCHEMBL28160744 0.92 S100A4 (0.84) MEN1KMT2ATHRBBLMRECQL
Hydrochloric Acid SCHEMBL331063 0.92 S100A4 (0.84) MEN1KMT2ATHRBBLMRECQL
SCHEMBL22409662 0.91 MEN1 (0.80) MEN1KMT2ATHRBBLMRECQL
Doxorubicin SCHEMBL27834123 0.91 MEN1 (0.91) MEN1KMT2ATHRBBLMRECQL
SCHEMBL29048581 0.91 MEN1 (0.79) MEN1KMT2ATHRBBLMRECQL

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-20120065149-A1 Vitamin receptor binding drug delivery conjugates VLAHOV IONTCHO R (US) 2012-03-15 US disclosed
US-20120040346-A1 Method of Determining Chemotherapy of Metastatic Tumor by Assaying DPD Gene Expression in Primary Tumors DANENBERG KATHLEEN D (US) 2012-02-16 US disclosed
US-8105568-B2 Vitamin receptor binding drug delivery conjugates ENDOCYTE, INC. (US) 2012-01-31 US disclosed
US-8101402-B2 Medical device for analyte monitoring and drug delivery THERANOS, INC. (US) 2012-01-24 US disclosed
EP-1662987-B1 MEDICAL DEVICE FOR ANALYTE MONITORING AND DRUG DELIVERY THERANOS INC (US) 2011-11-09 EP disclosed
US-20110243951-A1 IMMUNOMODULATING TUMOR NECROSIS FACTOR RECEPTOR 25 (TNFR25) AGONISTS, ANTAGONISTS AND IMMUNOTOXINS UNIVERSITY OF MIAMI (US) 2011-10-06 US disclosed
US-8026062-B2 Using thymidylate synthase concentration as evaluative tool in determining dosage levels to treating cell proliferative disorders RESPONSE GENETICS, INC. (US) 2011-09-27 US disclosed
US-20110230736-A1 DEVICE AND METHOD FOR DRUG EVALUATION AND LOCAL TREATMENT NINEPOINT MEDICAL, INC. 2011-09-22 US disclosed
US-20110166553-A1 MEDICAL DEVICE FOR ANALYTE MONITORING AND DRUG DELIVERY LABRADOR DIAGNOSTICS LLC 2011-07-07 US disclosed
EP-2320991-A2 DEVICE AND METHOD FOR DRUG EVALUATION AND LOCAL TREATMENT Third Rock Ventures (US) 2011-05-18 EP disclosed
EP-2319403-A2 Analyte monitoring and drug delivery Theranos, Inc. (US) 2011-05-11 EP 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-20120065149-A1 Vitamin receptor binding drug delivery conjugates VDR, CYP2R1, CYP24A1 MEN1 3425/4885KMT2A 2852/4885THRB 694/4885

“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.