SCHEMBL6802965

SCHEMBL6802965

CCOC(=O)c1cccc(-c2cccc(S(=O)(=O)c3ccc(CCN(Cc4ccccc4)C[C@H](O)c4cccc(Cl)c4)cc3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADRB3 P13945 4/20 0.41
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
ADRB1 P08588 3/20 0.38
ADRB2 P07550 2/20 0.38
CA2 P00918 1/20 0.36
MEP1B Q16820 1/20 0.36
PTPN1 P18031 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL6805378 0.96 TP53 (0.42) TP53MAPTMAPK1SMN1; SMN2ADRB3
SCHEMBL6540854 0.95 TP53 (0.45) TP53MAPTMAPK1SMN1; SMN2ADRB3
SCHEMBL6540859 0.95 TP53 (0.45) TP53MAPTMAPK1SMN1; SMN2ADRB3
SCHEMBL6806596 0.93 TP53 (0.41) TP53MAPTMAPK1SMN1; SMN2ADRB3
SCHEMBL6540404 0.93 TP53 (0.41) TP53MAPTMAPK1SMN1; SMN2ADRB3
SCHEMBL6677034 0.93 ADRB3 (0.44) TP53MAPTMAPK1SMN1; SMN2ADRB3
SCHEMBL6677084 0.92 TP53 (0.45) TP53MAPTMAPK1SMN1; SMN2ADRB3
SCHEMBL6804359 0.92 TP53 (0.45) TP53MAPTMAPK1SMN1; SMN2ADRB3
SCHEMBL6540284 0.92 TP53 (0.52) TP53MAPTMAPK1SMN1; SMN2ADRB3
SCHEMBL6540279 0.92 TP53 (0.52) TP53MAPTMAPK1SMN1; SMN2ADRB3

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 TP53 3318/4885MAPT 4534/4885MAPK1 2701/4885

“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.