SCHEMBL6804926

SCHEMBL6804926

CCOC(=O)c1cc(CCC(C)C)ccc1S(=O)(=O)c1ccc(C[C@@H](C)N)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.36
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
CA1 P00915 4/20 0.35
CA12 O43570 2/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA9 Q16790 1/20 0.35
CA4 P22748 1/20 0.34
MAOB P27338 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
TAAR1 Q96RJ0 2/20 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
SCHEMBL6676569 0.92 CA2 (0.38) CA2CYP4F2CYP4A11CA1CA12
SCHEMBL6679407 0.85 SLC6A2 (0.43) CA2CYP4F2CYP4A11CA1CA12
SCHEMBL6676486 0.84 SLC6A4 (0.46) LMNAKDM4EL3MBTL1TAAR1
SCHEMBL6804977 0.83 CA2 (0.38) CA2CYP4F2CYP4A11CA1CA12
SCHEMBL6803630 0.83 CNR1 (0.40) MEN1MAPTTHRBKMT2A
SCHEMBL6680578 0.82 HPGD (0.42) CA12LMNAKDM4ECA9MEN1
SCHEMBL6682518 0.81 MMP2 (0.43) LMNAL3MBTL1
SCHEMBL6677650 0.80 CA2 (0.41) CA2CYP4F2CYP4A11CA1CA12
SCHEMBL6677206 0.79 F2 (0.40) CA2LMNAKDM4EMEN1MAPT
SCHEMBL6679735 0.79 ADRB3 (0.53)

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 CA2 696/4885CYP4F2 4005/4885CYP4A11 3511/4885

“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.