SCHEMBL6800832

SCHEMBL6800832

CNC(=O)c1cc(S(=O)(=O)c2ccc(CCN(Cc3ccccc3)C(=O)OC(C)(C)C)cc2)ccc1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC2 Q92769 2/20 0.42
NCOR2 Q9Y618 2/20 0.42
LRRK2 Q5S007 1/20 0.41
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
RAF1 P04049 3/20 0.39
MAP2K1 Q02750 3/20 0.39
CA12 O43570 5/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA4 P22748 3/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNA3 P22001 1/20 0.37
LIMK1 P53667 1/20 0.37
LIMK2 P53671 1/20 0.37

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
SCHEMBL6274486 0.91 FOLH1 (0.43) HDAC1HDAC3HDAC2NCOR2CRHBP
SCHEMBL6273559 0.91 PTPN2 (0.44) HDAC1HDAC3HDAC2NCOR2LRRK2
SCHEMBL6272857 0.90 MEN1 (0.44) HDAC1HDAC3HDAC2NCOR2CRHBP
SCHEMBL6804388 0.88 CA12 (0.43) HDAC1HDAC3HDAC2NCOR2CRHBP
SCHEMBL6677469 0.79 POLB (0.50) LRRK2MEN1KMT2A
SCHEMBL6274189 0.79 MEN1 (0.48) CRHBPCRHR2RAF1MAP2K1CA12
SCHEMBL6802977 0.78 CA12 (0.46) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL6676717 0.77 FOLH1 (0.45) CRHBPCRHR2RAF1MAP2K1CA12
SCHEMBL6540329 0.77 TAS2R14 (0.54) HDAC1HDAC6CA12CA1CA2
SCHEMBL6677029 0.77 LRRK2 (0.44) HDAC1LRRK2HDAC6CA2CA4

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 HDAC1 3164/4885HDAC3 3039/4885HDAC2 2822/4885

“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.