SCHEMBL6677302

SCHEMBL6677302

CC(C)(C)OC(=O)N(CCc1ccc(S(=O)(=O)c2ccc(Oc3ccccc3C(=O)O)cc2)cc1)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 17/20 0.52
LPAR3 Q9UBY5 1/20 0.52
LPAR5 Q9H1C0 12/20 0.50
TAS2R14 Q9NYV8 1/20 0.42

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
SCHEMBL6677763 0.92 LPAR1 (0.47) LPAR1LPAR3LPAR5
SCHEMBL6799367 0.90 LPAR1 (0.47) LPAR1LPAR3LPAR5
SCHEMBL6802925 0.87 LPAR1 (0.46) LPAR1LPAR3LPAR5TAS2R14
SCHEMBL6540329 0.85 TAS2R14 (0.54) LPAR1LPAR5TAS2R14
SCHEMBL6676710 0.84 POLB (0.47) LPAR1LPAR5TAS2R14
SCHEMBL6540085 0.83 ALDH1A1 (0.50) LPAR1
SCHEMBL6802977 0.82 CA12 (0.46) LPAR1
SCHEMBL6676692 0.82 LPAR1 (0.59) LPAR1LPAR5TAS2R14
SCHEMBL6274486 0.82 FOLH1 (0.43)
SCHEMBL6677130 0.79 LPAR1 (0.51) LPAR1LPAR5TAS2R14

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-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 LPAR1 1110/4885LPAR3 729/4885LPAR5 1485/4885

“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.