SCHEMBL6539894

SCHEMBL6539894

NC(=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
ADRB3 P13945 16/20 0.43
ADRB1 P08588 11/20 0.43
RORC P51449 1/20 0.42
LPAR1 Q92633 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
CCR5 P51681 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 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
SCHEMBL6539898 1.00 ADRB3 (0.43) ADRB3ADRB1RORCLPAR1LPAR5
SCHEMBL6552792 0.94 ADRB3 (0.40) ADRB3ADRB1RORCLPAR1LPAR5
SCHEMBL6541361 0.90 ADRB3 (0.41) ADRB3ADRB1
SCHEMBL6541367 0.90 ADRB3 (0.41) ADRB3ADRB1
SCHEMBL6539888 0.89 GLI1 (0.41) ADRB3ADRB1
SCHEMBL6539883 0.89 GLI1 (0.41) ADRB3ADRB1
SCHEMBL6540391 0.89 LPAR1 (0.42) ADRB3ADRB1LPAR1LPAR5
SCHEMBL6540395 0.89 LPAR1 (0.42) ADRB3ADRB1LPAR1LPAR5
SCHEMBL6540609 0.87 BMP1 (0.40) ADRB3ADRB1
SCHEMBL6540620 0.87 BMP1 (0.40) ADRB3ADRB1

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 58/4885ADRB1 7/4885RORC 2960/4885

“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.