SCHEMBL6805535

SCHEMBL6805535

COC(=O)c1cc(S(=O)(=O)c2ccc(C[C@@H](C)NC(=O)C(F)(F)F)cc2)c(C)cc1O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.43
ACACB O00763 8/20 0.39
ESR1 P03372 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPT P10636 1/20 0.36
ABCC9 O60706 5/20 0.35
ABCC8 Q09428 5/20 0.35
KCNJ11 Q14654 5/20 0.35
KCNJ8 Q15842 5/20 0.35
GAA P10253 1/20 0.35
CA2 P00918 1/20 0.33

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
SCHEMBL6680778 0.90 CNR1 (0.40) CNR1ACACBESR1KCNH2ABCC9
SCHEMBL6677359 0.89 CNR1 (0.45) CNR1ACACBESR1KCNH2MAPT
SCHEMBL6805794 0.87 MAPT (0.42) CNR1ACACBESR1KCNH2MAPT
SCHEMBL6809238 0.85 CNR1 (0.46) CNR1ACACBESR1KCNH2MAPT
SCHEMBL6681814 0.82 CNR1 (0.48) CNR1ACACBMAPTABCC9ABCC8
SCHEMBL6540853 0.80 ESR1 (0.42) CNR1ACACBESR1KCNH2ABCC9
SCHEMBL6541239 0.78 CNR1 (0.44) CNR1ACACBESR1KCNH2
SCHEMBL6806687 0.78 CNR1 (0.51) CNR1ACACBESR1KCNH2ABCC9
SCHEMBL6677304 0.77 CNR1 (0.54) CNR1ACACB
SCHEMBL6541437 0.77 ESR1 (0.46) CNR1ACACBESR1KCNH2ABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 CNR1 112/4885ACACB 1800/4885ESR1 3850/4885

“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.