SCHEMBL4809396

SCHEMBL4809396

C[C@H](NCCOc1ccc(-c2ccc(C(=O)O)cc2)cc1)[C@H](O)c1ccc(OCc2ccccc2)c(NS(C)(=O)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 7/20 0.46
▸ ADRB1 P08588 4/20 0.43
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ ADAMTS4 O75173 3/20 0.41
▸ MMP13 P45452 2/20 0.41
▸ NR4A1 P22736 1/20 0.40
▸ NR4A2 P43354 1/20 0.40
▸ NR4A3 Q92570 1/20 0.40
▸ ACACB O00763 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ SLC2A1 P11166 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ AR P10275 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PTGER4 P35408 1/20 0.39
▸ PTGER2 P43116 1/20 0.39

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
SCHEMBL4809407 1.00 ADRB3 (0.46) ADRB3ADRB1RXRARXRBADAMTS4
SCHEMBL4817704 0.94 ADRB3 (0.51) ADRB3ADRB1ADAMTS4MMP13ACACB
SCHEMBL4810262 0.94 ADRB3 (0.47) ADRB3ADRB1ADAMTS4MMP13ACACB
SCHEMBL4810264 0.94 ADRB3 (0.47) ADRB3ADRB1ADAMTS4MMP13ACACB
SCHEMBL5699493 0.94 ADRB3 (0.47) ADRB3ADRB1ADAMTS4MMP13ACACB
SCHEMBL4811239 0.92 ADRB3 (0.46) ADRB3ADRB1ADAMTS4MMP13ACACB
SCHEMBL4811222 0.92 ADRB3 (0.46) ADRB3ADRB1ADAMTS4MMP13ACACB
SCHEMBL4817838 0.88 ADRB3 (0.43) ADRB3ADRB1ADAMTS4MMP13ACACB
SCHEMBL4817849 0.88 ADRB3 (0.43) ADRB3ADRB1ADAMTS4MMP13ACACB
SCHEMBL4811685 0.86 ADRB3 (0.40) ADRB3SMN1; SMN2

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 3 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
EP-1679304-A1 AMINO ALCOHOL DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-07-12 — — EP 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 4/4885RXRA 455/4885

“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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