SCHEMBL6802925

SCHEMBL6802925

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 11/20 0.46
LPAR5 Q9H1C0 10/20 0.46
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA4 P22748 2/20 0.39
LPAR3 Q9UBY5 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 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
SCHEMBL6804707 0.89 LPAR1 (0.50) LPAR1LPAR5CA12CA1CA2
SCHEMBL6802456 0.88 LPAR1 (0.47) LPAR1LPAR5LPAR3HDAC3HDAC1
SCHEMBL6677302 0.87 LPAR1 (0.52) LPAR1LPAR5LPAR3TAS2R14
SCHEMBL6676710 0.84 POLB (0.47) LPAR1LPAR5CA12CA1CA2
SCHEMBL6540329 0.84 TAS2R14 (0.54) LPAR1LPAR5CA12CA1CA2
SCHEMBL6799367 0.83 LPAR1 (0.47) LPAR1LPAR5CA12CA1CA2
SCHEMBL6540085 0.81 ALDH1A1 (0.50) LPAR1CA12CA1CA2CA4
SCHEMBL6802977 0.81 CA12 (0.46) LPAR1CA12CA1CA2CA4
SCHEMBL6806067 0.81 LPAR1 (0.43) LPAR1LPAR5CA12CA1CA2
SCHEMBL6677763 0.80 LPAR1 (0.47) LPAR1LPAR5LPAR3HDAC3HDAC1

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 1 patent. 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

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 1110/4885LPAR5 1485/4885CA12 1959/4885

“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.