SCHEMBL6540837

SCHEMBL6540837

CCOC(=O)c1ccc(S(=O)(=O)c2ccc(CCCN(Cc3ccccc3)C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
TP53 P04637 1/20 0.51
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
CA12 O43570 9/20 0.44
CA1 P00915 9/20 0.44
CA2 P00918 9/20 0.44
CA4 P22748 4/20 0.44

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
SCHEMBL6539924 0.95 POLB (0.53) POLBTP53HDAC3HDAC1HDAC2
SCHEMBL6540333 0.92 POLB (0.58) POLBTP53HDAC3HDAC1HDAC2
SCHEMBL6540487 0.88 POLB (0.50) POLBTP53HDAC3HDAC1HDAC2
SCHEMBL6541161 0.87 MAPT (0.45) POLBTP53HDAC3HDAC1HDAC2
SCHEMBL6804386 0.86 LPAR1 (0.49) POLBTP53HDAC3HDAC1HDAC2
SCHEMBL6805739 0.83 LPAR1 (0.43) POLBTP53HDAC3HDAC1HDAC2
SCHEMBL6540863 0.82 HDAC1 (0.49) POLBTP53HDAC3HDAC1HDAC2
SCHEMBL6540802 0.82 HDAC3 (0.42) HDAC3HDAC1HDAC2NCOR2CA12
SCHEMBL6799367 0.81 LPAR1 (0.47) HDAC3HDAC1HDAC2NCOR2CA12
SCHEMBL6541216 0.81 CYP4F2 (0.45) POLBTP53HDAC3HDAC1HDAC2

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 POLB 1231/4885TP53 3788/4885HDAC3 2501/4885

“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.