SCHEMBL6540868

SCHEMBL6540868

O=C(O)N(CCc1ccc(S(=O)(=O)c2ccccc2Oc2ccc(F)cc2)cc1)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 12/20 0.55
LPAR5 Q9H1C0 12/20 0.55
CA12 O43570 5/20 0.48
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
CA4 P22748 4/20 0.48
NR3C1 P04150 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
SCHEMBL6540096 0.90 LPAR1 (0.54) LPAR1LPAR5CA12CA1CA2
SCHEMBL6541221 0.84 LPAR1 (0.52) LPAR1LPAR5CA12CA1CA2
SCHEMBL6540099 0.84 HTR6 (0.55) LPAR1LPAR5CA12CA1CA2
SCHEMBL6804707 0.81 LPAR1 (0.50) LPAR1LPAR5CA12CA1CA2
SCHEMBL6540766 0.79 LPAR1 (0.57) LPAR1LPAR5
SCHEMBL6540792 0.79 CA12 (0.55) CA12CA1CA2CA4
SCHEMBL6540565 0.78 LTA4H (0.64) CA12CA1CA2CA4
SCHEMBL6539489 0.76 ADRB3 (0.39) LPAR1LPAR5CA12CA1CA2
SCHEMBL6677302 0.75 LPAR1 (0.52) LPAR1LPAR5
SCHEMBL6798502 0.75 CA12 (0.55) CA12CA1CA2CA4

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 719/4885CA12 4283/4885

“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.