SCHEMBL6804388

SCHEMBL6804388

CNC(=O)c1cc(S(=O)(=O)c2ccc(CCN(Cc3ccccc3)C(=O)OC(C)(C)C)cc2)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 10/20 0.43
CA1 P00915 10/20 0.43
CA2 P00918 10/20 0.43
CA4 P22748 5/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
HDAC6 Q9UBN7 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LIMK1 P53667 1/20 0.39
LIMK2 P53671 1/20 0.39
STAT5B P51692 1/20 0.39
RCE1 Q9Y256 1/20 0.39

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
SCHEMBL6800832 0.88 HDAC1 (0.42) CA12CA1CA2CA4HDAC1
SCHEMBL6802977 0.81 CA12 (0.46) CA12CA1CA2CA4HDAC1
SCHEMBL6274486 0.80 FOLH1 (0.43) CA12CA1CA2CA4HDAC1
SCHEMBL6273559 0.80 PTPN2 (0.44) CA12CA1CA2CA4HDAC1
SCHEMBL6540329 0.80 TAS2R14 (0.54) CA12CA1CA2CA4HDAC1
SCHEMBL6272857 0.79 MEN1 (0.44) CA12CA1CA2CA4HDAC1
SCHEMBL6676710 0.78 POLB (0.47) CA12CA1CA2CA4HDAC1
SCHEMBL6269079 0.78 BACE1 (0.41) CA12CA1CA2CA4STAT5B
SCHEMBL6269081 0.78 BACE1 (0.41) CA12CA1CA2CA4STAT5B
SCHEMBL6273579 0.78 BACE1 (0.41) HDAC1HDAC6

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 CA12 1959/4885CA1 2450/4885CA2 696/4885

“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.