SCHEMBL6809922

SCHEMBL6809922

CCc1c(C(=O)O)cccc1-c1ccc(S(=O)(=O)c2ccc(CC(C)NC(=O)C(F)(F)F)cc2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.36
SYK P43405 2/20 0.35
ESR1 P03372 1/20 0.35
KCNH2 Q12809 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ACACB O00763 2/20 0.35
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KCNJ8 Q15842 1/20 0.35
SLC16A1 P53985 1/20 0.34
CNR1 P21554 1/20 0.34
ABCB11 O95342 1/20 0.34
DPP4 P27487 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
CDK2 P24941 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 0.88 SYK (0.43) SYKESR1KCNH2ACACBABCC9
SCHEMBL7065062 0.88 SYK (0.40) SYKESR1KCNH2ACACBABCC9
SCHEMBL6804169 0.81 ABCC9 (0.39) ESR1KCNH2MRGPRX4ACACBABCC9
SCHEMBL6804172 0.81 ABCC9 (0.39) ESR1KCNH2MRGPRX4ACACBABCC9
SCHEMBL6805226 0.81 ACACB (0.43) ESR1KCNH2ACACBCNR1ITGB1
SCHEMBL6805230 0.81 ACACB (0.43) ESR1KCNH2ACACBCNR1ITGB1
SCHEMBL6679761 0.80 ESR1 (0.41) ESR1KCNH2ACACBABCC9ABCC8
SCHEMBL6540648 0.78 ABCB11 (0.41) ESR1KCNH2ACACBABCC9ABCC8
SCHEMBL6810020 0.78 ABCB11 (0.41) ESR1KCNH2ACACBABCC9ABCC8
SCHEMBL6800681 0.77 ALDH1A1 (0.42) ESR1KCNH2ACACBCNR1CDK2

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 RORC 4175/4885SYK 4777/4885ESR1 3850/4885

“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.