SCHEMBL6541730

SCHEMBL6541730

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.38
ACACB O00763 4/20 0.37
NAMPT P43490 7/20 0.36
ESR1 P03372 1/20 0.36
KCNH2 Q12809 1/20 0.36
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ABCC9 O60706 2/20 0.34
ABCC8 Q09428 2/20 0.34
KCNJ11 Q14654 2/20 0.34
KCNJ8 Q15842 2/20 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
SCHEMBL6539921 0.90 ESR1 (0.38) CNR1ACACBESR1KCNH2GAA
SCHEMBL6541205 0.89 ABCB11 (0.38) CNR1ACACBNAMPTESR1KCNH2
SCHEMBL6800035 0.89 ABCB11 (0.38) CNR1ACACBNAMPTESR1KCNH2
SCHEMBL6540840 0.89 NAMPT (0.45) CNR1ACACBNAMPTMEN1KMT2A
SCHEMBL6541794 0.87 PTPN1 (0.44) CNR1ACACBNAMPT
SCHEMBL6552876 0.87 ESR1 (0.39) CNR1ACACBNAMPTESR1KCNH2
SCHEMBL6540030 0.86 ACACB (0.47) CNR1ACACBESR1KCNH2GAA
SCHEMBL6540634 0.86 ACACB (0.47) CNR1ACACBESR1KCNH2GAA
SCHEMBL6552874 0.85 ESR1 (0.38) CNR1ACACBNAMPTESR1KCNH2
SCHEMBL6799811 0.85 ABCC9 (0.45) CNR1ACACBNAMPTESR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 CNR1 45/4885ACACB 3020/4885NAMPT 4409/4885

“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.