SCHEMBL6540802

SCHEMBL6540802

CC(C)(C)OC(=O)N(CCCc1ccc(S(=O)(=O)c2ccc(OS(=O)(=O)C(F)(F)F)cc2)cc1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
LPAR1 Q92633 2/20 0.41
LPAR5 Q9H1C0 1/20 0.41
CA12 O43570 12/20 0.40
CA1 P00915 12/20 0.40
CA2 P00918 12/20 0.40
CA4 P22748 5/20 0.40
TAS2R14 Q9NYV8 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
SCHEMBL6539552 0.88 HTR6 (0.39) HDAC3HDAC1HDAC2NCOR2LPAR1
SCHEMBL6539899 0.84 RCE1 (0.42) HDAC3HDAC1HDAC2NCOR2LPAR1
SCHEMBL6540329 0.84 TAS2R14 (0.54) HDAC1LPAR1LPAR5CA12CA1
SCHEMBL6676710 0.82 POLB (0.47) HDAC3HDAC1HDAC2NCOR2LPAR1
SCHEMBL6540837 0.82 POLB (0.53) HDAC3HDAC1HDAC2NCOR2CA12
SCHEMBL6540085 0.81 ALDH1A1 (0.50) LPAR1CA12CA1CA2CA4
SCHEMBL6540349 0.81 HDAC1 (0.39) HDAC3HDAC1HDAC2NCOR2LPAR1
SCHEMBL1799805 0.81 HDAC1 (0.51) HDAC3HDAC1HDAC2NCOR2LPAR1
SCHEMBL6540367 0.81 HDAC3 (0.47) HDAC3HDAC1HDAC2NCOR2LPAR1
SCHEMBL6802977 0.81 CA12 (0.46) HDAC3HDAC1HDAC2NCOR2LPAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO 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 HDAC3 2501/4885HDAC1 1603/4885HDAC2 968/4885

“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.