SCHEMBL6540559

SCHEMBL6540559

COc1cccc(S(=O)(=O)c2ccc(CCN(Cc3ccccc3)C(=O)O)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.56
LPAR5 Q9H1C0 2/20 0.56
TAS2R14 Q9NYV8 6/20 0.55
CHRM5 P08912 1/20 0.49
MTNR1B P49286 1/20 0.48
PGR P06401 1/20 0.48
LIMK2 P53671 1/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 1/20 0.47
RCE1 Q9Y256 1/20 0.46
BMP1 P13497 1/20 0.46

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
SCHEMBL6540116 0.90 TAS2R14 (0.52) LPAR1LPAR5TAS2R14BMP1
SCHEMBL6541428 0.85 L3MBTL1 (0.58) LPAR1TAS2R14CA12CA1CA2
SCHEMBL6541221 0.84 LPAR1 (0.52) LPAR1LPAR5CA12CA1CA2
SCHEMBL6541013 0.84 CA12 (0.50) LIMK2CA12CA1CA2CA4
SCHEMBL6806067 0.82 LPAR1 (0.43) LPAR1LPAR5LIMK2CA12CA1
SCHEMBL6539996 0.80 HTR6 (0.51) TAS2R14LIMK2CA12CA1CA2
SCHEMBL6540099 0.80 HTR6 (0.55) LPAR1LPAR5TAS2R14LIMK2CA12
SCHEMBL6798502 0.80 CA12 (0.55) TAS2R14LIMK2CA12CA1CA2
SCHEMBL6540808 0.79 ALDH1A1 (0.61) TAS2R14
SCHEMBL6540800 0.79 ALDH1A1 (0.61) TAS2R14

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

“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.