SCHEMBL6541476

SCHEMBL6541476

CCOC(=O)c1ccc(S(=O)(=O)c2ccc(C[C@@H](C)NC(=O)C(F)(F)F)cc2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.40
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
ABCB11 O95342 1/20 0.37
ESR1 P03372 1/20 0.37
KCNH2 Q12809 1/20 0.37
CNR1 P21554 2/20 0.37
PDK1 Q15118 2/20 0.36
PDK2 Q15119 2/20 0.36
PDK3 Q15120 2/20 0.36
PDK4 Q16654 2/20 0.36
BDKRB1 P46663 2/20 0.35
MAPT P10636 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
HDAC4 P56524 1/20 0.34

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
SCHEMBL6541264 0.90 ACACB (0.41) ACACBESR1KCNH2CNR1PDK1
SCHEMBL6539916 0.89 ACACB (0.43) ACACBESR1KCNH2CNR1HDAC4
SCHEMBL6677333 0.85 CNR1 (0.46) ACACBESR1KCNH2CNR1BDKRB1
SCHEMBL6682412 0.85 ACACB (0.41) ACACBCYP4F2CYP4A11ESR1KCNH2
SCHEMBL6540340 0.85 KMT2A (0.45) ACACBCA1CA2CA12ESR1
SCHEMBL6541158 0.85 KMT2A (0.45) ACACBCA1CA2CA12ESR1
SCHEMBL6540336 0.83 ACACB (0.52) ACACBCA2ESR1KCNH2MAPT
SCHEMBL6809919 0.83 ACACB (0.45) ACACBCA2ESR1KCNH2BDKRB1
SCHEMBL6682471 0.83 ACACB (0.41) ACACBESR1KCNH2CNR1HDAC4
SCHEMBL6676950 0.83 ACACB (0.43) ACACBCNR1PDK1PDK2PDK3

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 ACACB 3020/4885CYP4F2 3647/4885CYP4A11 3040/4885

“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.