SCHEMBL6540329

SCHEMBL6540329

COc1ccc(S(=O)(=O)c2ccc(CCN(Cc3ccccc3)C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.54
LPAR1 Q92633 2/20 0.53
LPAR5 Q9H1C0 2/20 0.53
BMP1 P13497 2/20 0.49
PTGES O14684 1/20 0.48
TAS2R8 Q9NYW2 1/20 0.48
CXCR3 P49682 1/20 0.48
ALOX5 P09917 2/20 0.47
MMP2 P08253 1/20 0.46
MMP8 P22894 1/20 0.46
MMP12 P39900 1/20 0.46
MMP13 P45452 1/20 0.46
MMP14 P50281 1/20 0.46
MMP16 P51512 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MMP3 P08254 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45

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
SCHEMBL6676710 0.90 POLB (0.47) TAS2R14LPAR1LPAR5CA12CA1
SCHEMBL6540085 0.89 ALDH1A1 (0.50) LPAR1CA12CA1CA2CA4
SCHEMBL6802977 0.88 CA12 (0.46) LPAR1CA12CA1CA2HDAC1
SCHEMBL6541405 0.86 LPAR1 (0.54) TAS2R14LPAR1LPAR5ALOX5L3MBTL1
SCHEMBL6677302 0.85 LPAR1 (0.52) TAS2R14LPAR1LPAR5
SCHEMBL6802925 0.84 LPAR1 (0.46) TAS2R14LPAR1LPAR5CA12CA1
SCHEMBL9823156 0.84 HDAC1 (0.54) LPAR1LPAR5L3MBTL1TDP1HDAC1
SCHEMBL6539924 0.84 POLB (0.53) CA12CA1CA2HDAC1HDAC6
SCHEMBL6540802 0.84 HDAC3 (0.42) TAS2R14LPAR1LPAR5CA12CA1
SCHEMBL6676692 0.82 LPAR1 (0.59) TAS2R14LPAR1LPAR5PTGESALOX5

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 TAS2R14 3056/4885LPAR1 362/4885LPAR5 719/4885

“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.