SCHEMBL6540415

SCHEMBL6540415

C[C@H](Cc1ccc(S(=O)(=O)c2ccc(O)c(F)c2)cc1)NC(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.40
ESR1 P03372 1/20 0.40
KCNH2 Q12809 1/20 0.40
ACACB O00763 4/20 0.39
ABCC9 O60706 5/20 0.37
ABCC8 Q09428 5/20 0.37
KCNJ11 Q14654 5/20 0.37
KCNJ8 Q15842 5/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6540853 0.89 ESR1 (0.42) CNR1ESR1KCNH2ACACBABCC9
SCHEMBL6810020 0.88 ABCB11 (0.41) CNR1ESR1KCNH2ACACBABCC9
SCHEMBL6540648 0.88 ABCB11 (0.41) CNR1ESR1KCNH2ACACBABCC9
SCHEMBL6677754 0.87 ALDH1A1 (0.42) CNR1ESR1KCNH2ACACBGAA
SCHEMBL6800681 0.87 ALDH1A1 (0.42) CNR1ESR1KCNH2ACACBGAA
SCHEMBL6540840 0.86 NAMPT (0.45) CNR1ACACB
SCHEMBL6539913 0.86 ESR1 (0.46) CNR1ESR1KCNH2ACACBABCC9
SCHEMBL6541437 0.86 ESR1 (0.46) CNR1ESR1KCNH2ACACBABCC9
SCHEMBL6805794 0.85 MAPT (0.42) CNR1ESR1KCNH2ACACBABCC9
SCHEMBL6540275 0.84 ABCC9 (0.55) CNR1ESR1KCNH2ACACBABCC9

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-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 CNR1 45/4885ESR1 2525/4885KCNH2 211/4885

“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.