SCHEMBL6022809

SCHEMBL6022809

O=C(O)C=Cc1ccc(OS(=O)(=O)C(F)(F)F)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 5/20 0.48
HSD17B10 Q99714 3/20 0.48
HPGD P15428 3/20 0.48
MAPK1 P28482 2/20 0.48
ALOX15 P16050 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 4/20 0.47
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA3 P07451 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA5A P35218 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43

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
SCHEMBL6022805 1.00 AKR1C3 (0.49) AKR1C3AKR1C2KDM4EALDH1A1HSD17B10
SCHEMBL4611177 0.85 KDM4E (0.49) AKR1C3AKR1C2KDM4EALDH1A1HSD17B10
SCHEMBL4611183 0.85 KDM4E (0.49) AKR1C3AKR1C2KDM4EALDH1A1HSD17B10
SCHEMBL2387614 0.84 TTR (0.50) ALDH1A1HPGDCA12CA1CA2
SCHEMBL6022894 0.84 KDM4E (0.48) AKR1C3AKR1C2KDM4EALDH1A1HSD17B10
SCHEMBL6023889 0.84 ALDH1A1 (0.51) AKR1C3AKR1C2KDM4EALDH1A1HSD17B10
SCHEMBL6023888 0.84 ALDH1A1 (0.51) AKR1C3AKR1C2KDM4EALDH1A1HSD17B10
SCHEMBL6022895 0.84 KDM4E (0.48) AKR1C3AKR1C2KDM4EALDH1A1HSD17B10
SCHEMBL15049558 0.82 AKR1C3 (0.53) AKR1C3AKR1C2KDM4EALDH1A1HSD17B10
SCHEMBL15049559 0.82 AKR1C3 (0.53) AKR1C3AKR1C2KDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 AKR1C3 1995/4885AKR1C2 1879/4885KDM4E 2860/4885

“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.