SCHEMBL6540502

SCHEMBL6540502

COc1ccccc1S(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 2/20 0.54
ABCC8 Q09428 2/20 0.54
KCNJ11 Q14654 2/20 0.54
KCNJ8 Q15842 2/20 0.54
HTR6 P50406 1/20 0.48
POLB P06746 1/20 0.47
ALK Q9UM73 1/20 0.46
NAMPT P43490 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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 0.83 POLB (0.50) POLBKMT2AALDH1A1
SCHEMBL6677132 0.82 HTT (0.42) ALKNAMPTALDH1A1
SCHEMBL6680430 0.81 ALK (0.47) ALKNAMPTKMT2A
SCHEMBL6679300 0.80 NLRP3 (0.42) ALKALDH1A1
SCHEMBL6678463 0.80 ABCC9 (0.54) ABCC9ABCC8KCNJ11KCNJ8NAMPT
SCHEMBL9633827 0.78 MTNR1A (0.49) ALK
SCHEMBL5071533 0.76 MTNR1A (0.57)
SCHEMBL5072982 0.76 POLB (0.58) POLB
SCHEMBL5073509 0.75 MTNR1A (0.56)
SCHEMBL6541431 0.75 POLB (0.47) POLBMEN1KMT2AALDH1A1

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 3 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
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 (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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 ABCC9 1823/4885ABCC8 629/4885KCNJ11 79/4885

“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.