SCHEMBL6809919

SCHEMBL6809919

CCOC(=O)c1cccc(-c2ccc(S(=O)(=O)c3ccc(C[C@@H](C)NC(=O)C(F)(F)F)cc3)cc2Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.45
BDKRB1 P46663 3/20 0.39
LMNA P02545 1/20 0.38
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
CA2 P00918 1/20 0.37
SYK P43405 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ESR1 P03372 1/20 0.36
KCNH2 Q12809 1/20 0.36
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 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
SCHEMBL6805111 0.90 ACACB (0.48) ACACBCA2SYKNPSR1ESR1
SCHEMBL6540336 0.88 ACACB (0.52) ACACBLMNACA2NPSR1ESR1
SCHEMBL6541476 0.83 ACACB (0.40) ACACBBDKRB1CA2ESR1KCNH2
SCHEMBL6804168 0.83 ACACB (0.47) ACACBLMNACA2NPSR1ESR1
SCHEMBL6805221 0.82 ACACB (0.48) ACACBLMNACA2NPSR1ESR1
SCHEMBL6541158 0.82 KMT2A (0.45) ACACBCA2ESR1KCNH2
SCHEMBL6540340 0.82 KMT2A (0.45) ACACBCA2ESR1KCNH2
SCHEMBL6676950 0.82 ACACB (0.43) ACACBLMNA
SCHEMBL6541568 0.79 CA2 (0.45) LMNABCL2L1MCL1CA2
SCHEMBL6682412 0.78 ACACB (0.41) ACACBBDKRB1LMNAESR1KCNH2

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 1 patent. 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

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 1800/4885BDKRB1 665/4885LMNA 3890/4885

“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.