SCHEMBL6540391

SCHEMBL6540391

CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(CCN(C[C@H](O)c3cccc(Cl)c3)C(=O)O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.42
LPAR5 Q9H1C0 1/20 0.42
ADRB3 P13945 13/20 0.42
ADRB1 P08588 9/20 0.42
LIMK2 P53671 2/20 0.41
LIMK1 P53667 1/20 0.41
RCE1 Q9Y256 1/20 0.40
HSD11B1 P28845 1/20 0.39
ADRB2 P07550 1/20 0.38

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
SCHEMBL6540395 1.00 LPAR1 (0.42) LPAR1LPAR5ADRB3ADRB1LIMK2
SCHEMBL6541467 0.94 NAMPT (0.41) LPAR1LPAR5ADRB3ADRB1ADRB2
SCHEMBL6541472 0.94 NAMPT (0.41) LPAR1LPAR5ADRB3ADRB1ADRB2
SCHEMBL6539898 0.89 ADRB3 (0.43) LPAR1LPAR5ADRB3ADRB1
SCHEMBL6539894 0.89 ADRB3 (0.43) LPAR1LPAR5ADRB3ADRB1
SCHEMBL6541361 0.88 ADRB3 (0.41) ADRB3ADRB1ADRB2
SCHEMBL6541367 0.88 ADRB3 (0.41) ADRB3ADRB1ADRB2
SCHEMBL6539888 0.88 GLI1 (0.41) ADRB3ADRB1ADRB2
SCHEMBL6539883 0.88 GLI1 (0.41) ADRB3ADRB1ADRB2
SCHEMBL6552762 0.86 ADRB3 (0.39) LPAR1LPAR5ADRB3ADRB1ADRB2

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 LPAR1 362/4885LPAR5 719/4885ADRB3 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.