SCHEMBL6676950

SCHEMBL6676950

CCOC(=O)c1ccc(S(=O)(=O)c2ccc(C[C@@H](C)NC(=O)C(F)(F)F)cc2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.43
HSD11B1 P28845 4/20 0.42
CNR1 P21554 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6541158 0.87 KMT2A (0.45) ACACBALDH1A1PDK1PDK2PDK3
SCHEMBL6540340 0.87 KMT2A (0.45) ACACBALDH1A1PDK1PDK2PDK3
SCHEMBL6677333 0.85 CNR1 (0.46) ACACBHSD11B1CNR1ALDH1A1KDM4E
SCHEMBL6540336 0.84 ACACB (0.52) ACACBLMNAABCC9ABCC8KCNJ11
SCHEMBL6804957 0.83 CNR1 (0.44) ACACBHSD11B1CNR1ABCC9ABCC8
SCHEMBL6541476 0.83 ACACB (0.40) ACACBCNR1PDK1PDK2PDK3
SCHEMBL6800924 0.83 CNR1 (0.58) ACACBCNR1ABCC9ABCC8KCNJ11
SCHEMBL6677489 0.82 ALDH1A1 (0.47) ACACBHSD11B1ALDH1A1KDM4ELMNA
SCHEMBL6809919 0.82 ACACB (0.45) ACACBLMNA
SCHEMBL6809808 0.81 CNR1 (0.41) ACACBCNR1GAA

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 1800/4885HSD11B1 1504/4885CNR1 112/4885

“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.