SCHEMBL6540580

SCHEMBL6540580

O=C(O)N(CCc1ccc(Sc2cccc(Oc3ccc(F)cc3)c2)cc1)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 12/20 0.52
LPAR5 Q9H1C0 11/20 0.52
MMP2 P08253 1/20 0.45
LTA4H P09960 1/20 0.43
EPHX2 P34913 1/20 0.43
FNTA P49354 2/20 0.43
PGGT1B P53609 2/20 0.43
NR3C1 P04150 1/20 0.43
PTGES O14684 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
CETP P11597 1/20 0.42

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
SCHEMBL6540766 0.84 LPAR1 (0.57) LPAR1LPAR5KDM4ELMNAGAA
SCHEMBL6539665 0.84 LPAR1 (0.57) LPAR1LPAR5KDM4E
SCHEMBL6799225 0.83 LPAR1 (0.43) LPAR1LPAR5PTGESLMNAGAA
SCHEMBL6541221 0.81 LPAR1 (0.52) LPAR1LPAR5MMP2NR3C1PTGES
SCHEMBL6540935 0.81 LPAR1 (0.48) LPAR1LPAR5MMP2KDM4ELMNA
SCHEMBL6677473 0.80 LPAR1 (0.60) LPAR1LPAR5PTGES
SCHEMBL6540825 0.79 OPRK1 (0.50) LPAR1LPAR5
SCHEMBL6540096 0.78 LPAR1 (0.54) LPAR1LPAR5MMP2NR3C1PTGES
SCHEMBL6540146 0.78 LPAR1 (0.52) LPAR1LPAR5MMP2PTGES
SCHEMBL6800067 0.78 LPAR1 (0.49) LPAR1LPAR5CETP

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 719/4885MMP2 4321/4885

“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.