SCHEMBL6540340

SCHEMBL6540340

CCOC(=O)c1ccc(S(=O)(=O)c2ccc(C[C@@H](C)NC(=O)C(F)(F)F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
GAA P10253 1/20 0.45
ACACB O00763 2/20 0.45
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
HPGD P15428 3/20 0.44
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 3/20 0.42
RECQL P46063 1/20 0.41
NHERF1 O14745 1/20 0.41
ESR1 P03372 1/20 0.41
KCNH2 Q12809 1/20 0.41
POLB P06746 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CA12 O43570 1/20 0.41

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 1.00 KMT2A (0.45) KMT2AGAAACACBPDK1PDK2
SCHEMBL6540336 0.90 ACACB (0.52) ACACBESR1KCNH2POLBCA2
SCHEMBL6541264 0.89 ACACB (0.41) KMT2AGAAACACBPDK1PDK2
SCHEMBL6676950 0.87 ACACB (0.43) KMT2AGAAACACBPDK1PDK2
SCHEMBL6805111 0.86 ACACB (0.48) ACACBALDH1A1ESR1KCNH2CA2
SCHEMBL6805221 0.86 ACACB (0.48) KMT2AACACBALDH1A1MEN1ESR1
SCHEMBL6539916 0.86 ACACB (0.43) GAAACACBALDH1A1ESR1KCNH2
SCHEMBL6804168 0.85 ACACB (0.47) KMT2AACACBALDH1A1MEN1ESR1
SCHEMBL6677082 0.85 ACACB (0.50) KMT2AGAAACACBMEN1ESR1
SCHEMBL6541476 0.85 ACACB (0.40) GAAACACBPDK1PDK2PDK3

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 5 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
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 WO 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 KMT2A 432/4885GAA 3888/4885ACACB 3020/4885
US-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 KMT2A 505/4885GAA 3654/4885ACACB 1800/4885

“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.