SCHEMBL6539489

SCHEMBL6539489

O=S(=O)(c1ccc(CCN(Cc2ccccc2)C[C@H](O)c2cccc(Cl)c2)cc1)c1ccccc1Oc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 6/20 0.39
LPAR1 Q92633 3/20 0.39
LPAR5 Q9H1C0 3/20 0.39
KCNH2 Q12809 1/20 0.38
ADRB1 P08588 3/20 0.38
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA4 P22748 3/20 0.37
PGR P06401 1/20 0.37
FNTA P49354 1/20 0.37
PGGT1B P53609 1/20 0.37
NR3C1 P04150 1/20 0.36
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL6540226 0.93 ADRB3 (0.44) ADRB3LPAR1LPAR5KCNH2ADRB1
SCHEMBL6540722 0.89 LPAR1 (0.45) ADRB3LPAR1LPAR5KCNH2ADRB1
SCHEMBL6540726 0.88 L3MBTL1 (0.43) ADRB3KCNH2ADRB1
SCHEMBL6680794 0.86 ADRB3 (0.43) ADRB3LPAR1LPAR5KCNH2ADRB1
SCHEMBL6680799 0.86 ADRB3 (0.43) ADRB3LPAR1LPAR5KCNH2ADRB1
SCHEMBL6541266 0.85 CA12 (0.43) ADRB3KCNH2ADRB1CA12CA1
SCHEMBL6541250 0.85 CA12 (0.43) ADRB3KCNH2ADRB1CA12CA1
SCHEMBL6541261 0.85 CA12 (0.43) ADRB3KCNH2ADRB1CA12CA1
SCHEMBL6540461 0.84 PSEN1 (0.39) ADRB3KCNH2ADRB1CA12CA1
SCHEMBL6540463 0.84 PSEN1 (0.39) ADRB3KCNH2ADRB1CA12CA1

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-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 ADRB3 58/4885LPAR1 362/4885LPAR5 719/4885

“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.