SCHEMBL6805002

SCHEMBL6805002

C[C@H](Cc1ccc(S(=O)(=O)c2cc(I)ccc2C=O)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
ACACB O00763 10/20 0.37
ESR1 P03372 1/20 0.36
KCNH2 Q12809 1/20 0.36
GAA P10253 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
APEX1 P27695 1/20 0.32
PMP22 Q01453 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
RAD51 Q06609 1/20 0.31

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
SCHEMBL6805279 0.92 CNR1 (0.42) CNR1ACACBESR1KCNH2GAA
SCHEMBL6681192 0.85 CNR1 (0.40) CNR1ACACBESR1KCNH2GAA
SCHEMBL6804246 0.84 CNR1 (0.43) CNR1ACACBESR1KCNH2GAA
SCHEMBL6681129 0.83 CNR1 (0.42) CNR1ACACBESR1KCNH2GAA
SCHEMBL6678499 0.81 ACACB (0.41) CNR1ACACBESR1KCNH2GAA
SCHEMBL6805179 0.80 CNR1 (0.56) CNR1ACACB
SCHEMBL6809464 0.80 ESR1 (0.42) CNR1ACACBESR1KCNH2GAA
SCHEMBL6676664 0.79 CNR1 (0.41) CNR1ACACBESR1KCNH2GAA
SCHEMBL6809647 0.79 ESR1 (0.36) ACACBESR1KCNH2TAAR1CYP1A2
SCHEMBL6677150 0.78 CYP1A2 (0.51) ACACBESR1KCNH2CYP1A2CYP2D6

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.