SCHEMBL4585252

SCHEMBL4585252

CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C(=O)O)cc2)cc1OC1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.62
ADRB1 P08588 9/20 0.61
ADRB2 P07550 1/20 0.51

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
SCHEMBL4585254 1.00 ADRB3 (0.62) ADRB3ADRB1ADRB2
SCHEMBL4584211 0.96 ADRB3 (0.61) ADRB3ADRB1ADRB2
SCHEMBL4584213 0.96 ADRB3 (0.61) ADRB3ADRB1ADRB2
SCHEMBL4585263 0.92 ADRB3 (0.62) ADRB3ADRB1ADRB2
SCHEMBL4585265 0.92 ADRB3 (0.62) ADRB3ADRB1ADRB2
SCHEMBL4585271 0.92 ADRB3 (0.62) ADRB3ADRB1ADRB2
SCHEMBL4584891 0.91 ADRB3 (0.75) ADRB3ADRB1ADRB2
SCHEMBL4584888 0.91 ADRB3 (0.75) ADRB3ADRB1ADRB2
SCHEMBL4584535 0.90 ADRB3 (0.53) ADRB3ADRB1ADRB2
SCHEMBL4584542 0.90 ADRB3 (0.53) ADRB3ADRB1ADRB2

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-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed
US-20050137236-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 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-20050137236-A1 Aminoalcohol derivatives GPR39, PRMT9, CHRM2 ADRB3 86/4885ADRB1 70/4885ADRB2 58/4885

“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.