SCHEMBL6804168

SCHEMBL6804168

CCOC(=O)c1cccc(Oc2cccc(S(=O)(=O)c3ccc(C[C@@H](C)NC(=O)C(F)(F)F)cc3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.47
MAPT P10636 2/20 0.40
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA2 P00918 1/20 0.39
NAMPT P43490 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ESR1 P03372 1/20 0.38
KCNH2 Q12809 1/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
F10 P00742 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37

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
SCHEMBL6805221 0.96 ACACB (0.48) ACACBMAPTMEN1KMT2ACA2
SCHEMBL6540336 0.93 ACACB (0.52) ACACBMAPTABCC9ABCC8KCNJ11
SCHEMBL6805111 0.89 ACACB (0.48) ACACBMAPTCA2NPSR1ESR1
SCHEMBL6540340 0.85 KMT2A (0.45) ACACBMEN1KMT2ACA2ESR1
SCHEMBL6541158 0.85 KMT2A (0.45) ACACBMEN1KMT2ACA2ESR1
SCHEMBL6676495 0.84 ALDH1A1 (0.47) ACACBLMNASMN1; SMN2ALDH1A1
SCHEMBL6805223 0.84 ACACB (0.48) ACACBMAPTMEN1KMT2ANPSR1
SCHEMBL6804630 0.83 ACACB (0.48) ACACBMAPTMEN1KMT2ANPSR1
SCHEMBL6809919 0.83 ACACB (0.45) ACACBCA2NPSR1ESR1KCNH2
SCHEMBL6540898 0.83 ABCC9 (0.57) ACACBABCC9ABCC8KCNJ11KCNJ8

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 1800/4885MAPT 4534/4885ABCC9 1596/4885

“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.