SCHEMBL6023587

SCHEMBL6023587

O=C(O)/C=C/c1ccccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
NFKB1 P19838 2/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51
PTGER1 P34995 1/20 0.50
PTGER4 P35408 1/20 0.50
PTGER3 P43115 1/20 0.50
PTGER2 P43116 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 4/20 0.47
LMNA P02545 2/20 0.47
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
NFE2L2 Q16236 2/20 0.44
TFEB P19484 1/20 0.44
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 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
SCHEMBL27672302 0.83 ALDH1A1 (0.42) HTTMAPTLMNANFE2L2KDM4E
SCHEMBL2390113 0.83 KDM4E (0.43) HTTNFKB1CA1CA2CA4
SCHEMBL1536411 0.80 HTT (0.61) HTTNFKB1CA1CA2CA4
SCHEMBL1536410 0.80 HTT (0.61) HTTNFKB1CA1CA2CA4
SCHEMBL1201009 0.79 ALDH1A1 (0.62) HTTGAASMN1; SMN2MAPTLMNA
SCHEMBL6317945 0.78 PLA2G1B (0.39) HTTNFKB1CA1CA2CA4
SCHEMBL6317948 0.78 PLA2G1B (0.39) HTTNFKB1CA1CA2CA4
SCHEMBL3902810 0.78 MAPT (0.55) NFKB1CA1CA2GAASMN1; SMN2
SCHEMBL3901322 0.78 MAPT (0.55) NFKB1CA1CA2GAASMN1; SMN2
SCHEMBL7086093 0.78 ALDH1A1 (0.44) GAALMNAMAPK1

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 HTT 3847/4885NFKB1 155/4885CA1 1420/4885

“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.