SCHEMBL6541161

SCHEMBL6541161

CCOC(=O)c1cccc(S(=O)(=O)c2ccc(CCN(Cc3ccccc3)C(=O)OC(C)(C)C)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.45
CA2 P00918 7/20 0.43
CA12 O43570 6/20 0.43
CA1 P00915 6/20 0.43
CA4 P22748 2/20 0.43
TP53 P04637 1/20 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
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
RCE1 Q9Y256 1/20 0.41

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
SCHEMBL6541216 0.95 CYP4F2 (0.45) MAPTMAPK1SMN1; SMN2POLBCA2
SCHEMBL6805739 0.93 LPAR1 (0.43) MAPTMAPK1SMN1; SMN2POLBCA2
SCHEMBL6540487 0.92 POLB (0.50) MAPTMAPK1SMN1; SMN2POLBCA2
SCHEMBL6539924 0.92 POLB (0.53) MAPTMAPK1SMN1; SMN2POLBCA2
SCHEMBL6804386 0.89 LPAR1 (0.49) MAPTMAPK1SMN1; SMN2POLBTP53
SCHEMBL6540837 0.87 POLB (0.53) MAPTMAPK1SMN1; SMN2POLBCA2
SCHEMBL6540333 0.85 POLB (0.58) MAPTMAPK1SMN1; SMN2POLBTP53
SCHEMBL6539988 0.84 PPARA (0.47) MAPTCA2CA12CA1CA4
SCHEMBL6677130 0.83 LPAR1 (0.51) HDAC1HDAC3HDAC2NCOR2RCE1
SCHEMBL6540326 0.83 HDAC1 (0.43) MAPTHDAC1HDAC3HDAC2NCOR2

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 MAPT 4502/4885MAPK1 1158/4885SMN1; SMN2 2146/4885

“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.