SCHEMBL6804172

SCHEMBL6804172

CCc1c(Oc2cccc(S(=O)(=O)c3ccc(C[C@@H](C)NC(=O)C(F)(F)F)cc3)c2)cccc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 3/20 0.39
ABCC8 Q09428 3/20 0.39
KCNJ11 Q14654 3/20 0.39
KCNJ8 Q15842 3/20 0.39
ACACB O00763 5/20 0.38
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
ESR1 P03372 1/20 0.35
KCNH2 Q12809 1/20 0.35
MTNR1B P49286 1/20 0.35
CNR1 P21554 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KCNQ3 O43525 3/20 0.35
KCNQ2 O43526 3/20 0.35
NAMPT P43490 2/20 0.35
PDE4B Q07343 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33

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
SCHEMBL6804169 1.00 ABCC9 (0.39) ABCC9ABCC8KCNJ11KCNJ8ACACB
SCHEMBL6805230 0.93 ACACB (0.43) ACACBITGB1ITGA4ESR1KCNH2
SCHEMBL6805226 0.93 ACACB (0.43) ACACBITGB1ITGA4ESR1KCNH2
SCHEMBL6805113 0.84 SYK (0.43) ABCC9ABCC8KCNJ11KCNJ8ACACB
SCHEMBL6804634 0.84 ACACB (0.39) ACACBESR1KCNH2MTNR1BMRGPRX4
SCHEMBL6804635 0.84 ACACB (0.39) ACACBESR1KCNH2MTNR1BMRGPRX4
SCHEMBL7065062 0.82 SYK (0.40) ABCC9ABCC8KCNJ11KCNJ8ACACB
SCHEMBL6540797 0.82 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8ACACB
SCHEMBL6799811 0.82 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8ACACB
SCHEMBL6540898 0.82 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8ACACB

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 ABCC9 1596/4885ABCC8 997/4885KCNJ11 90/4885

“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.