SCHEMBL94972

SCHEMBL94972

C[C@@H]1OCC2OC(O[C@@H]3c4cc5c(cc4[C@@H](c4cc(CO)c(O)c(CO)c4)[C@H]4C(=O)OC[C@@H]43)OCO5)[C@H](O)[C@@H](O)[C@@H]2O1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.81
GAA P10253 5/20 0.81
SMN1; SMN2 Q16637 5/20 0.81
TOP2A P11388 5/20 0.81
TOP2B Q02880 4/20 0.81
LMNA P02545 3/20 0.81
MEN1 O00255 2/20 0.81
KMT2A Q03164 2/20 0.81
NCOA3 Q9Y6Q9 2/20 0.81
HSD17B10 Q99714 2/20 0.81
HIF1A Q16665 2/20 0.81
CYP1A2 P05177 1/20 0.81
CYP2D6 P10635 1/20 0.81
CYP2C9 P11712 1/20 0.81
CYP2C19 P33261 1/20 0.81
NCOA1 Q15788 1/20 0.81
SLCO1B3 Q9NPD5 1/20 0.81
ATM Q13315 1/20 0.61
USP2 O75604 1/20 0.61
ABCC3 O15438 1/20 0.61

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
SCHEMBL12308351 1.00 CYP3A4 (0.81) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL16606226 1.00 CYP3A4 (0.81) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL15060571 1.00 CYP3A4 (0.81) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL422175 0.94 CYP3A4 (0.89) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL17816434 0.94 CYP3A4 (0.89) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL19959379 0.94 CYP3A4 (0.89) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL15472841 0.94 CYP3A4 (0.89) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL13818627 0.94 CYP3A4 (0.89) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL10061877 0.94 CYP3A4 (0.89) CYP3A4GAASMN1; SMN2TOP2ATOP2B
Etoposide SCHEMBL24482748 0.89 CYP3A4 (1.00) CYP3A4GAASMN1; SMN2TOP2ATOP2B

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 9 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-8216571-B2 Fully human anti-VEGF antibodies and methods of using SCHERING CORPORATION (US) 2012-07-10 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-20110097340-A1 FULLY HUMAN ANTI-VEGF ANTIBODIES AND METHODS OF USING XOMA TECHNOLOGY LTD. 2011-04-28 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20110097340-A1 FULLY HUMAN ANTI-VEGF ANTIBODIES AND METHODS OF USING VEGFA, KDR, FLT4 CYP3A4 4812/4885GAA 1902/4885SMN1; SMN2 4415/4885
US-20130243692-A1 FDG-PET EVALUATION OF EWING'S SARCOMA SENSITIVITY IGF1R, IRS1, EWSR1 CYP3A4 2778/4885GAA 242/4885SMN1; SMN2 1667/4885
US-20110014117-A1 ANTI-IGF1R IGF1R, IGFBP1, IGFBP2 CYP3A4 4884/4885GAA 221/4885SMN1; SMN2 2621/4885
US-20120058112-A1 ANTIBODIES IGF1R, EGFR, ERBB3 CYP3A4 4577/4885GAA 2191/4885SMN1; SMN2 1795/4885
US-20110009387-A1 HISTONE H2AX (HH2AX) BIOMARKER FOR FTI SENSITIVITY TERF2IP, TERF2, DOT1L CYP3A4 4781/4885GAA 4123/4885SMN1; SMN2 3879/4885
US-20110262525-A1 METHODS OF TREATMENT ASAH2, FOLH1, CD44 CYP3A4 4405/4885GAA 410/4885SMN1; SMN2 818/4885
US-20110091524-A1 BIOMARKERS FOR SENSITIVITY TO ANTI-IGF1R THERAPY IGF1R, IGFBP1, IGFBP2 CYP3A4 4849/4885GAA 1418/4885SMN1; SMN2 2063/4885
US-20150093398-A1 Methods and Compositions for Treating or Preventing Cancer BRCA1, VHL, TP53 CYP3A4 3752/4885GAA 695/4885SMN1; SMN2 1239/4885

“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.