SCHEMBL6677089

SCHEMBL6677089

CCOC(=O)c1cc(S(=O)(=O)c2ccc(CCN(C[C@@H](O)c3cccc(Cl)c3)C(=O)OC(C)(C)C)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 2/20 0.35
BACE1 P56817 3/20 0.35
ADRB3 P13945 2/20 0.34
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34

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
SCHEMBL6677093 1.00 MAPT (0.37) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL6683288 0.89 ADRB3 (0.36) HTTBACE1ADRB3
SCHEMBL6804980 0.89 ADRB3 (0.36) HTTBACE1ADRB3
SCHEMBL6679739 0.89 ADRB3 (0.37) MAPTMEN1KMT2AL3MBTL1BACE1
SCHEMBL6679742 0.89 ADRB3 (0.37) MAPTMEN1KMT2AL3MBTL1BACE1
SCHEMBL6677142 0.88 BACE1 (0.37) LMNABACE1ADRB3
SCHEMBL6803595 0.88 BACE1 (0.37) LMNABACE1ADRB3
SCHEMBL6541363 0.87 TP53 (0.40) BACE1ADRB3
SCHEMBL6541360 0.87 TP53 (0.40) BACE1ADRB3
SCHEMBL6804189 0.87 BACE1 (0.36) LMNABACE1ADRB3

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 2 patents. 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
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 MAPT 4534/4885LMNA 3890/4885NPSR1 2524/4885

“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.