SCHEMBL2393313

SCHEMBL2393313

CCOC(=O)C1(C)CCc2c(C)c(OS(=O)(=O)C(F)(F)F)c(C)c(C)c2O1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.56
TTPA P49638 4/20 0.52
ALOX5 P09917 1/20 0.49
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL16282036 0.81 PSEN1 (0.57) PSEN1TTPAALOX5PTGS1PTGS2
SCHEMBL8380309 0.79 TTPA (0.69) PSEN1TTPAALOX5PTGS1PTGS2
SCHEMBL2393197 0.78 PTGS1 (0.68) PSEN1TTPAALOX5PTGS1PTGS2
SCHEMBL30951067 0.78 PTGS1 (0.68) PSEN1TTPAALOX5PTGS1PTGS2
SCHEMBL15150902 0.77 PSEN1 (0.51) PSEN1TTPAALOX5PTGS1PTGS2
SCHEMBL15150890 0.77 TTPA (0.52) PSEN1TTPAALOX5PTGS1PTGS2
SCHEMBL30951065 0.72 PTGS1 (0.64) PSEN1TTPAALOX5PTGS1PTGS2
SCHEMBL29242846 0.72 PTGS1 (0.64) PSEN1TTPAALOX5PTGS1PTGS2
SCHEMBL15150900 0.72 PSEN1 (0.47) PSEN1TTPAALOX5PTGS1PTGS2
SCHEMBL14948954 0.70 PSEN1 (0.67) PSEN1TTPAALOX5PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE42700-E1 Induction of apoptosis in cancer cells SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-09-13 US disclosed
US-7053071-B2 For therapy of leukemia or other forms of cancer or for treating disease conditions caused by apoptosis of cells THE BURNHAM INSTITUTE (US) 2006-05-30 US disclosed
EP-1456165-A1 INDUCTION OF APOPTOSIS IN CANCER CELLS The Burnham Institute (US) 2004-09-15 EP disclosed
US-20030176506-A1 Induction of apoptosis in cancer cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH 2003-09-18 US disclosed
WO-2003048101-A1 INDUCTION OF APOPTOSIS IN CANCER CELLS THE BURNHAM INSTITUTE (US) 2003-06-12 WO 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-20030176506-A1 Induction of apoptosis in cancer cells MCL1, BAD, BCL2 PSEN1 2827/4885TTPA 1603/4885ALOX5 863/4885

“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.