SCHEMBL6805828

SCHEMBL6805828

CCc1cccc(C(=O)O)c1Oc1cccc(S(=O)(=O)c2ccc(CCN(Cc3ccccc3)C[C@H](O)c3cccc(Cl)c3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 17/20 0.39
ADRB1 P08588 12/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL6805826 1.00 ADRB3 (0.39) ADRB3ADRB1LPAR1LPAR5KCNH2
SCHEMBL6805015 0.95 ADRB3 (0.41) ADRB3ADRB1LPAR1LPAR5KCNH2
SCHEMBL6805013 0.95 ADRB3 (0.41) ADRB3ADRB1LPAR1LPAR5KCNH2
SCHEMBL6802138 0.91 ADRB3 (0.43) ADRB3ADRB1LPAR1LPAR5KCNH2
SCHEMBL6802133 0.91 ADRB3 (0.43) ADRB3ADRB1LPAR1LPAR5KCNH2
SCHEMBL6801228 0.90 ADRB3 (0.40) ADRB3ADRB1LPAR1LPAR5KCNH2
SCHEMBL6801226 0.90 ADRB3 (0.40) ADRB3ADRB1LPAR1LPAR5KCNH2
SCHEMBL6675752 0.89 LPAR1 (0.42) ADRB3ADRB1LPAR1LPAR5KCNH2
SCHEMBL6675747 0.89 LPAR1 (0.42) ADRB3ADRB1LPAR1LPAR5KCNH2
SCHEMBL6676289 0.86 ADRB3 (0.53) ADRB3ADRB1LPAR1LPAR5

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 ADRB3 150/4885ADRB1 39/4885LPAR1 1110/4885

“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.