SCHEMBL6678463

SCHEMBL6678463

COc1cccc(S(=O)(=O)c2ccc(CCCNC(=O)C(F)(F)F)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.54
ABCC8 Q09428 1/20 0.54
KCNJ11 Q14654 1/20 0.54
KCNJ8 Q15842 1/20 0.54
MTNR1B P49286 6/20 0.51
MTNR1A P48039 5/20 0.51
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NAMPT P43490 3/20 0.45

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
SCHEMBL6541474 0.89 POLB (0.50) MTNR1BMTNR1AKMT2A
SCHEMBL6677132 0.83 HTT (0.42) NAMPT
SCHEMBL5073633 0.83 MTNR1A (0.71) MTNR1BMTNR1AKMT2AMEN1
SCHEMBL6680430 0.82 ALK (0.47) KMT2ANAMPT
SCHEMBL6679300 0.81 NLRP3 (0.42)
SCHEMBL5072982 0.80 POLB (0.58) MTNR1BMTNR1A
SCHEMBL6803966 0.80 RAB9A (0.44) MTNR1BMTNR1AKMT2AMEN1
SCHEMBL6806399 0.80 CA2 (0.43) MTNR1BMTNR1AKMT2AMEN1
SCHEMBL6677462 0.80 MTNR1A (0.51) MTNR1BMTNR1AKMT2AMEN1
SCHEMBL6540502 0.80 ABCC9 (0.54) ABCC9ABCC8KCNJ11KCNJ8KMT2A

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 ABCC9 1596/4885ABCC8 997/4885KCNJ11 90/4885

“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.