SCHEMBL4815127

SCHEMBL4815127

CCC(Oc1ccc(-c2cc(C)c(OCCN[C@@H](C)[C@H](O)c3ccc(OCc4ccccc4)c(NS(C)(=O)=O)c3)c(C)c2)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 11/20 0.39
▸ ADRB1 P08588 4/20 0.38
▸ KEAP1 Q14145 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ PPARG P37231 3/20 0.35
▸ PPARA Q07869 3/20 0.35
▸ ADAMTS4 O75173 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ CYP19A1 P11511 1/20 0.34
▸ CTRC Q99895 1/20 0.34
▸ TRPV1 Q8NER1 2/20 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
SCHEMBL4815151 1.00 ADRB3 (0.39) ADRB3ADRB1KEAP1NFE2L2PPARG
SCHEMBL4808571 0.94 PPARG (0.43) ADRB3PPARGPPARA
SCHEMBL4808561 0.94 PPARG (0.43) ADRB3PPARGPPARA
SCHEMBL4817838 0.93 ADRB3 (0.43) ADRB3ADRB1PPARGPPARAADAMTS4
SCHEMBL4817849 0.93 ADRB3 (0.43) ADRB3ADRB1PPARGPPARAADAMTS4
SCHEMBL5699357 0.89 ADRB3 (0.42) ADRB3ADRB1PPARGPPARAADAMTS4
SCHEMBL5699364 0.89 ADRB3 (0.42) ADRB3ADRB1PPARGPPARAADAMTS4
SCHEMBL4818562 0.88 ADRB3 (0.42) ADRB3ADRB1
SCHEMBL4818555 0.88 ADRB3 (0.42) ADRB3ADRB1
SCHEMBL4814509 0.86 ADRB3 (0.39) ADRB3ADRB1CYP19A1TRPV1

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-7417169-B2 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-08-26 — — US disclosed
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-04-05 — — 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-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these ADRB2, ADRA2A, ADRA1A ADRB3 5/4885ADRB1 4/4885KEAP1 3842/4885

“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.

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