SCHEMBL6682471

SCHEMBL6682471

CCCc1ccc(C(=O)OCC)c(S(=O)(=O)c2ccc(C[C@@H](C)NC(=O)C(F)(F)F)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.41
CNR1 P21554 2/20 0.39
ESR1 P03372 1/20 0.36
KCNH2 Q12809 1/20 0.36
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GAA P10253 1/20 0.33
PTPRB P23467 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MCL1 Q07820 1/20 0.32

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
SCHEMBL6809808 0.93 CNR1 (0.41) ACACBCNR1ESR1KCNH2HDAC4
SCHEMBL6678499 0.89 ACACB (0.41) ACACBCNR1ESR1KCNH2HDAC4
SCHEMBL6679098 0.88 ACACB (0.39) ACACBCNR1ESR1KCNH2HDAC4
SCHEMBL6803630 0.85 CNR1 (0.40) ACACBCNR1ESR1KCNH2HDAC4
SCHEMBL6541264 0.85 ACACB (0.41) ACACBCNR1ESR1KCNH2HDAC4
SCHEMBL6539916 0.84 ACACB (0.43) ACACBCNR1ESR1KCNH2HDAC4
SCHEMBL6677333 0.83 CNR1 (0.46) ACACBCNR1ESR1KCNH2GAA
SCHEMBL6676664 0.83 CNR1 (0.41) ACACBCNR1ESR1KCNH2HDAC4
SCHEMBL6541476 0.83 ACACB (0.40) ACACBCNR1ESR1KCNH2HDAC4
SCHEMBL6679390 0.83 METAP2 (0.42) ACACBCNR1ESR1KCNH2GAA

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-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 ACACB 1800/4885CNR1 112/4885ESR1 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.