SCHEMBL6540085

SCHEMBL6540085

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
LPAR1 Q92633 2/20 0.47
LPAR2 Q9HBW0 1/20 0.47
PTPN1 P18031 2/20 0.46
CA12 O43570 6/20 0.46
CA1 P00915 6/20 0.46
CA2 P00918 6/20 0.46
CA4 P22748 5/20 0.46
CA9 Q16790 4/20 0.46
TBXA2R P21731 1/20 0.45
TBXAS1 P24557 1/20 0.45
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
PTGIR P43119 1/20 0.43
RCE1 Q9Y256 1/20 0.43

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
SCHEMBL6540329 0.89 TAS2R14 (0.54) LPAR1CA12CA1CA2CA4
SCHEMBL6540809 0.88 CA12 (0.42) LPAR1LPAR2PTPN1CA12CA1
SCHEMBL6802977 0.88 CA12 (0.46) LPAR1LPAR2CA12CA1CA2
SCHEMBL6676710 0.87 POLB (0.47) LPAR1CA12CA1CA2CA4
SCHEMBL4449671 0.83 LTB4R (0.55)
SCHEMBL6677302 0.83 LPAR1 (0.52) LPAR1
SCHEMBL6802925 0.81 LPAR1 (0.46) LPAR1CA12CA1CA2CA4
SCHEMBL9823156 0.81 HDAC1 (0.54) LPAR1RCE1
SCHEMBL6540802 0.81 HDAC3 (0.42) LPAR1CA12CA1CA2CA4
SCHEMBL6539924 0.81 POLB (0.53) CA12CA1CA2CA4RCE1

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-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 ALDH1A1 188/4885LPAR1 362/4885LPAR2 260/4885

“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.