SCHEMBL6540809

SCHEMBL6540809

CC(C)(C)OC(=O)N(CCc1ccc(S(=O)(=O)c2ccccc2OCC(=O)O)cc1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 11/20 0.42
CA1 P00915 11/20 0.42
CA2 P00918 11/20 0.42
CA4 P22748 7/20 0.42
RCE1 Q9Y256 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
CA9 Q16790 3/20 0.40
LPAR1 Q92633 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL6540085 0.88 ALDH1A1 (0.50) CA12CA1CA2CA4RCE1
SCHEMBL6802977 0.84 CA12 (0.46) CA12CA1CA2CA4RCE1
SCHEMBL6540218 0.82 SLC6A9 (0.46) RCE1HDAC1HDAC3HDAC2NCOR2
SCHEMBL6540329 0.81 TAS2R14 (0.54) CA12CA1CA2CA4RCE1
SCHEMBL9823156 0.80 HDAC1 (0.54) RCE1HDAC1HDAC3HDAC2NCOR2
SCHEMBL6677302 0.79 LPAR1 (0.52) LPAR1
SCHEMBL6676710 0.79 POLB (0.47) CA12CA1CA2CA4RCE1
SCHEMBL6540099 0.78 HTR6 (0.55) CA12CA1CA2CA4RCE1
SCHEMBL6802925 0.78 LPAR1 (0.46) CA12CA1CA2CA4HDAC1
SCHEMBL6274486 0.78 FOLH1 (0.43) CA12CA1CA2CA4RCE1

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-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 CA12 4283/4885CA1 4181/4885CA2 2242/4885

“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.