SCHEMBL6683086

SCHEMBL6683086

COc1ccc(S(=O)(=O)c2ccc(C[C@@H](C)NC(=O)C(F)(F)F)cc2)c(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.57
ACACB O00763 2/20 0.43
CNR2 P34972 1/20 0.41
CA2 P00918 1/20 0.40
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40

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
SCHEMBL6683466 0.90 CNR1 (0.46) CNR1ACACB
SCHEMBL6677304 0.89 CNR1 (0.54) CNR1ACACBCNR2
SCHEMBL6800924 0.87 CNR1 (0.58) CNR1ACACBCNR2ABCC9ABCC8
SCHEMBL6681129 0.86 CNR1 (0.42) CNR1ACACBABCC9ABCC8KCNJ11
SCHEMBL6805179 0.85 CNR1 (0.56) CNR1ACACBCNR2ABCC9ABCC8
SCHEMBL6541208 0.85 CNR1 (0.56) CNR1ACACBCA2
SCHEMBL6679390 0.85 METAP2 (0.42) CNR1ACACBABCC9ABCC8KCNJ11
SCHEMBL6693250 0.84 CNR1 (0.41) CNR1ACACBABCC9ABCC8KCNJ11
SCHEMBL6687524 0.83 CNR1 (0.40) CNR1ACACBABCC9ABCC8KCNJ11
SCHEMBL6540898 0.82 ABCC9 (0.57) CNR1ACACBABCC9ABCC8KCNJ11

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 CNR1 112/4885ACACB 1800/4885CNR2 73/4885

“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.