SCHEMBL6804977

SCHEMBL6804977

CCCc1ccc(C(=O)OCC)c(S(=O)(=O)c2ccc(C[C@@H](C)N)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.38
CA1 P00915 5/20 0.37
CA12 O43570 3/20 0.37
CA9 Q16790 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA7 P43166 2/20 0.35
CA14 Q9ULX7 1/20 0.35
CA4 P22748 1/20 0.35
MAOB P27338 1/20 0.35
CA5A P35218 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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 0.91 CA2 (0.38) CA2CA1CA12CA9KDM4E
SCHEMBL6804926 0.83 CA2 (0.36) CA2CA1CA12CA9KDM4E
SCHEMBL6682471 0.82 ACACB (0.41)
SCHEMBL6540683 0.82 CA2 (0.40) CA2CA1CA12CA9KDM4E
SCHEMBL6677650 0.81 CA2 (0.41) CA2CA1CA12CA9KDM4E
SCHEMBL6679407 0.80 SLC6A2 (0.43) CA2CA1CA12CA9KDM4E
SCHEMBL6540641 0.80 CA2 (0.46) CA2CA1CA12CA9KDM4E
SCHEMBL6540373 0.80 CA2 (0.39) CA2CA1CA12CA9KDM4E
SCHEMBL6676486 0.80 SLC6A4 (0.46) KDM4ELMNAL3MBTL1TAAR1
SCHEMBL6675932 0.79 GAA (0.40) CA2CA1CA12CA9LMNA

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 696/4885CA1 2450/4885CA12 1959/4885

“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.