SCHEMBL6802972

SCHEMBL6802972

CCc1c(C(=O)O)cccc1-c1cccc(S(=O)(=O)c2ccc(CCN(Cc3ccccc3)CC(O)c3cccc(Cl)c3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 14/20 0.40
ADRB1 P08588 12/20 0.40
ADRB2 P07550 1/20 0.40
LTB4R2 Q9NPC1 2/20 0.37
BRS3 P32247 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
LPAR1 Q92633 1/20 0.34
TAS2R14 Q9NYV8 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
SCHEMBL6805800 0.92 ADRB3 (0.44) ADRB3ADRB1ADRB2LTB4R2BRS3
SCHEMBL6805795 0.92 ADRB3 (0.44) ADRB3ADRB1ADRB2LTB4R2BRS3
SCHEMBL6799695 0.90 ADRB3 (0.36) ADRB3ADRB1ADRB2LTB4R2MEN1
SCHEMBL6799691 0.88 TP53 (0.38) ADRB3ADRB1ADRB2LTB4R2MEN1
SCHEMBL6801228 0.87 ADRB3 (0.40) ADRB3ADRB1LPAR1
SCHEMBL6801226 0.87 ADRB3 (0.40) ADRB3ADRB1LPAR1
SCHEMBL6799697 0.87 LTB4R2 (0.38) ADRB3ADRB1ADRB2LTB4R2BRS3
SCHEMBL6802974 0.86 ADRB3 (0.43) ADRB3ADRB1ADRB2MEN1POLB
SCHEMBL6678311 0.84 ADRB3 (0.51) ADRB3ADRB1ADRB2MEN1POLB
SCHEMBL6540308 0.83 ADRB3 (0.49) ADRB3ADRB1MEN1POLBKMT2A

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 39/4885ADRB2 30/4885

“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.