SCHEMBL7065062

SCHEMBL7065062

CCc1c(C(=O)O)cccc1-c1ccc(S(=O)(=O)c2ccc(C[C@@H](C)NC(=O)C(F)(F)F)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.40
ESR1 P03372 1/20 0.39
KCNH2 Q12809 1/20 0.39
ACACB O00763 2/20 0.38
CDK2 P24941 1/20 0.37
GAA P10253 1/20 0.36
LTB4R2 Q9NPC1 3/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
BRS3 P32247 1/20 0.34
PPARG P37231 1/20 0.34
LGMN Q99538 1/20 0.33
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 1/20 0.33
MME P08473 1/20 0.33
MEN1 O00255 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
SCHEMBL6805113 0.93 SYK (0.43) SYKESR1KCNH2ACACBCDK2
SCHEMBL6809922 0.88 RORC (0.36) SYKESR1KCNH2ACACBCDK2
SCHEMBL6805230 0.85 ACACB (0.43) ESR1KCNH2ACACBGAAITGB1
SCHEMBL6805226 0.85 ACACB (0.43) ESR1KCNH2ACACBGAAITGB1
SCHEMBL6804598 0.83 LTB4R2 (0.40) SYKLTB4R2ITGB1ITGA4BRS3
SCHEMBL6804169 0.82 ABCC9 (0.39) ESR1KCNH2ACACBITGB1ITGA4
SCHEMBL6804172 0.82 ABCC9 (0.39) ESR1KCNH2ACACBITGB1ITGA4
SCHEMBL6805115 0.81 APAF1 (0.37) SYKESR1KCNH2ACACBCDK2
SCHEMBL6679761 0.79 ESR1 (0.41) ESR1KCNH2ACACBCDK2GAA
SCHEMBL6677082 0.78 ACACB (0.50) ESR1KCNH2ACACBGAANPC1

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 SYK 4777/4885ESR1 3850/4885KCNH2 184/4885

“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.