SCHEMBL6023595

SCHEMBL6023595

O=C(O)C(=Cc1ccccc1)OS(=O)(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 3/20 0.43
▸ AKR1C1 Q04828 2/20 0.42
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ PTGS2 P35354 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MCL1 Q07820 1/20 0.34

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
SCHEMBL6063636 0.82 NR1H4 (0.51) MEN1KMT2AABCG2ALDH1A1
SCHEMBL6063634 0.82 NR1H4 (0.51) MEN1KMT2AABCG2ALDH1A1
SCHEMBL6062734 0.81 MAPT (0.47) AKR1C3CYP3A4MEN1KMT2ATP53
SCHEMBL6062729 0.81 MAPT (0.47) AKR1C3CYP3A4MEN1KMT2ATP53
SCHEMBL8125711 0.80 AKR1C3 (0.41) AKR1C3AKR1C1CYP3A4CYP2C9MEN1
SCHEMBL27018581 0.79 AKR1C3 (0.43) AKR1C3MEN1KMT2AHTTPTGS2
Hydrogen Sulfide SCHEMBL23215080 0.77 AKR1C1 (0.40) AKR1C3AKR1C1MEN1KMT2AHTT
SCHEMBL4649014 0.77 AKR1C3 (0.47) AKR1C3AKR1C1CYP3A4CYP2C9MEN1
SCHEMBL7153123 0.77 AKR1C3 (0.47) AKR1C3AKR1C1CYP3A4CYP2C9MEN1
SCHEMBL4649011 0.77 AKR1C3 (0.47) AKR1C3AKR1C1CYP3A4CYP2C9MEN1

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 2 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
US-20030176506-A1 Induction of apoptosis in cancer cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH 2003-09-18 — — 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 (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 1995/4885AKR1C1 1994/4885CYP3A4 3323/4885

“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.

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