SCHEMBL6540722

SCHEMBL6540722

O=S(=O)(c1ccc(CCN(Cc2ccccc2)C[C@H](O)c2cccc(Cl)c2)cc1)c1cccc(Oc2ccc(F)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.45
LPAR5 Q9H1C0 1/20 0.45
ADRB3 P13945 10/20 0.43
PGR P06401 1/20 0.42
ADRB1 P08588 6/20 0.41
NR3C1 P04150 1/20 0.40
FNTA P49354 1/20 0.40
PGGT1B P53609 1/20 0.40
KCNH2 Q12809 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
DAGLA Q9Y4D2 2/20 0.37

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
SCHEMBL6540226 0.96 ADRB3 (0.44) LPAR1LPAR5ADRB3PGRADRB1
SCHEMBL6677810 0.91 LPAR1 (0.56) LPAR1LPAR5ADRB3PGRADRB1
SCHEMBL6677806 0.91 LPAR1 (0.56) LPAR1LPAR5ADRB3PGRADRB1
SCHEMBL6676293 0.89 ADRB3 (0.53) LPAR1LPAR5ADRB3ADRB1
SCHEMBL6676289 0.89 ADRB3 (0.53) LPAR1LPAR5ADRB3ADRB1
SCHEMBL6539489 0.89 ADRB3 (0.39) LPAR1LPAR5ADRB3PGRADRB1
SCHEMBL6539497 0.88 TAS2R14 (0.44) LPAR1LPAR5ADRB3PGRKCNH2
SCHEMBL6675752 0.88 LPAR1 (0.42) LPAR1LPAR5ADRB3ADRB1KCNH2
SCHEMBL6675747 0.88 LPAR1 (0.42) LPAR1LPAR5ADRB3ADRB1KCNH2
SCHEMBL6802131 0.87 LPAR1 (0.46) LPAR1LPAR5ADRB3PGRADRB1

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 LPAR1 362/4885LPAR5 719/4885ADRB3 58/4885

“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.