SCHEMBL6328526

SCHEMBL6328526

COc1ccc(C(C[C@H](C)C(N)[C@H](O)c2ccc(OCc3ccccc3)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 16/20 0.46
ADRB2 P07550 3/20 0.43
ADRB1 P08588 2/20 0.43
CYP19A1 P11511 2/20 0.43
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
PTK2B Q14289 1/20 0.41

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
SCHEMBL7769485 0.89 ADRB3 (0.49) ADRB3ADRB2ADRB1CYP19A1
SCHEMBL7769483 0.86 ADRB3 (0.45) ADRB3ADRB2ADRB1CYP19A1ALDH1A1
SCHEMBL4816663 0.84 CYP19A1 (0.48) ADRB3ADRB2ADRB1CYP19A1
SCHEMBL6322651 0.83 ADRB3 (0.58) ADRB3
SCHEMBL6321884 0.83 ADRB3 (0.58) ADRB3
Hydrochloric Acid SCHEMBL6321280 0.83 ADRB3 (0.57) ADRB3ADRB2ADRB1
Hydrochloric Acid SCHEMBL6321291 0.83 ADRB3 (0.57) ADRB3ADRB2ADRB1
SCHEMBL8604748 0.82 CYP19A1 (0.51) ADRB3ADRB2CYP19A1
SCHEMBL7039435 0.82 CYP19A1 (0.51) ADRB3ADRB2CYP19A1
SCHEMBL6322116 0.80 ADRB3 (0.47) ADRB3ADRB2ADRB1

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-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-25 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 (2 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-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 ADRB3 2/4885ADRB2 3/4885ADRB1 1/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 ADRB3 2/4885ADRB2 3/4885ADRB1 1/4885

“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.