SCHEMBL6677082

SCHEMBL6677082

C[C@H](Cc1ccc(S(=O)(=O)c2ccc(C(=O)O)cc2)cc1)NC(=O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ESR1 P03372 1/20 0.43
KCNH2 Q12809 1/20 0.43
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TAS2R14 Q9NYV8 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
SCHEMBL6539913 0.87 ESR1 (0.46) ACACBL3MBTL1KMT2AMEN1ESR1
SCHEMBL6541437 0.87 ESR1 (0.46) ACACBL3MBTL1KMT2AMEN1ESR1
SCHEMBL6677982 0.85 ESR1 (0.40) ACACBL3MBTL1ESR1KCNH2
SCHEMBL6540340 0.85 KMT2A (0.45) ACACBKMT2AMEN1ESR1KCNH2
SCHEMBL6541158 0.85 KMT2A (0.45) ACACBKMT2AMEN1ESR1KCNH2
SCHEMBL6540634 0.84 ACACB (0.47) ACACBL3MBTL1KMT2AESR1KCNH2
SCHEMBL6540030 0.84 ACACB (0.47) ACACBL3MBTL1KMT2AESR1KCNH2
SCHEMBL6809464 0.84 ESR1 (0.42) ACACBKMT2AMEN1ESR1KCNH2
SCHEMBL6541208 0.84 CNR1 (0.56) ACACBGAA
SCHEMBL6677754 0.84 ALDH1A1 (0.42) ACACBKMT2AMEN1ESR1KCNH2

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 1800/4885L3MBTL1 1632/4885TDP1 1689/4885

“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.