SCHEMBL6540116

SCHEMBL6540116

COc1ccc(S(=O)(=O)c2cccc(CCN(Cc3ccccc3)C(=O)O)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 5/20 0.52
LPAR1 Q92633 2/20 0.51
LPAR5 Q9H1C0 2/20 0.51
MMP3 P08254 1/20 0.48
PTGES O14684 1/20 0.48
TAS2R8 Q9NYW2 1/20 0.48
CXCR3 P49682 1/20 0.48
BMP1 P13497 3/20 0.47
TP53 P04637 2/20 0.47
HTR6 P50406 1/20 0.47
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL6540559 0.90 LPAR1 (0.56) TAS2R14LPAR1LPAR5BMP1
SCHEMBL6539996 0.86 HTR6 (0.51) TAS2R14HTR6
SCHEMBL6539946 0.82 OPRK1 (0.51) HTR6
SCHEMBL6541428 0.82 L3MBTL1 (0.58) TAS2R14LPAR1TP53TSHRALDH1A1
SCHEMBL5127211 0.81 CYP26B1 (0.54) MMP3BMP1HTR6ALDH1A1NPSR1
SCHEMBL6541013 0.80 CA12 (0.50) HTR6
SCHEMBL6540329 0.79 TAS2R14 (0.54) TAS2R14LPAR1LPAR5MMP3PTGES
SCHEMBL6541221 0.79 LPAR1 (0.52) LPAR1LPAR5PTGES
SCHEMBL6540146 0.78 LPAR1 (0.52) TAS2R14LPAR1LPAR5PTGESHTR6
SCHEMBL6539973 0.78 ALDH1A1 (0.58) TSHRALDH1A1NPSR1

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.