SCHEMBL6680804

SCHEMBL6680804

CCOC(=O)c1cccc(Oc2ccc(S(=O)(=O)c3ccc(CCCN(Cc4ccccc4)C[C@H](O)c4cccc(Cl)c4)cc3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 9/20 0.47
LPAR1 Q92633 5/20 0.45
LPAR5 Q9H1C0 2/20 0.45
TP53 P04637 1/20 0.42
ADRB1 P08588 5/20 0.41
PGR P06401 1/20 0.39
LPAR2 Q9HBW0 1/20 0.38
CETP P11597 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6680803 1.00 ADRB3 (0.47) ADRB3LPAR1LPAR5TP53ADRB1
SCHEMBL6681935 0.96 ADRB3 (0.43) ADRB3LPAR1LPAR5TP53ADRB1
SCHEMBL6805643 0.96 ADRB3 (0.43) ADRB3LPAR1LPAR5TP53ADRB1
SCHEMBL6801224 0.93 ADRB3 (0.43) ADRB3LPAR1LPAR5TP53ADRB1
SCHEMBL6677084 0.92 TP53 (0.45) ADRB3TP53ADRB1CYP4F2CYP4A11
SCHEMBL6804359 0.92 TP53 (0.45) ADRB3TP53ADRB1CYP4F2CYP4A11
SCHEMBL6541193 0.91 TP53 (0.51) ADRB3TP53ADRB1MAPT
SCHEMBL6541200 0.91 TP53 (0.51) ADRB3TP53ADRB1MAPT
SCHEMBL6802131 0.91 LPAR1 (0.46) ADRB3LPAR1LPAR5TP53ADRB1
SCHEMBL6677034 0.90 ADRB3 (0.44) ADRB3TP53ADRB1CYP4F2CYP4A11

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 ADRB3 150/4885LPAR1 1110/4885LPAR5 1485/4885

“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.