SCHEMBL6540797

SCHEMBL6540797

C[C@H](Cc1ccc(S(=O)(=O)c2cccc(OS(=O)(=O)C(F)(F)F)c2)cc1)NC(=O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 6/20 0.45
ABCC8 Q09428 6/20 0.45
KCNJ11 Q14654 6/20 0.45
KCNJ8 Q15842 6/20 0.45
ESR1 P03372 1/20 0.41
KCNH2 Q12809 1/20 0.41
CNR1 P21554 1/20 0.40
ACACB O00763 4/20 0.40
NAMPT P43490 4/20 0.40
MTNR1B P49286 1/20 0.39
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSD P07339 1/20 0.38

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
SCHEMBL6799811 1.00 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8ESR1
SCHEMBL6540898 0.90 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8ESR1
SCHEMBL6540030 0.89 ACACB (0.47) ESR1KCNH2CNR1ACACBGAA
SCHEMBL6540634 0.89 ACACB (0.47) ESR1KCNH2CNR1ACACBGAA
SCHEMBL6541394 0.88 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8ESR1
SCHEMBL6552531 0.88 ESR1 (0.46) ABCC9ABCC8KCNJ11KCNJ8ESR1
SCHEMBL6552529 0.86 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8ESR1
SCHEMBL6541730 0.85 CNR1 (0.38) ABCC9ABCC8KCNJ11KCNJ8ESR1
SCHEMBL6539921 0.85 ESR1 (0.38) ABCC9ABCC8KCNJ11KCNJ8ESR1
SCHEMBL6800035 0.84 ABCB11 (0.38) ABCC9ABCC8KCNJ11KCNJ8ESR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
US-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 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 (2 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 ABCC9 1823/4885ABCC8 629/4885KCNJ11 79/4885
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.