SCHEMBL6804698

SCHEMBL6804698

CC(C)(C)OC(=O)N(CCc1ccc(S(=O)(=O)c2ccc(N)c(C(=O)O)c2)cc1)C[C@@H](OC1CCCCO1)c1cccc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.37
CHRM2 P08172 3/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
ADRB3 P13945 3/20 0.34
CCR5 P51681 8/20 0.32
ADRB1 P08588 1/20 0.32
FKBP1A P62942 1/20 0.32
FKBP4 Q02790 1/20 0.32
FKBP5 Q13451 1/20 0.32
CA2 P00918 1/20 0.31
HTR4 Q13639 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL6680691 1.00 PTGER4 (0.37) PTGER4CHRM2CHRM4CHRM5CHRM1
SCHEMBL6800689 0.92 HTR4 (0.33) PTGER4CHRM2CHRM4CHRM5CHRM1
SCHEMBL6800696 0.92 HTR4 (0.33) PTGER4CHRM2CHRM4CHRM5CHRM1
SCHEMBL6804797 0.91 PTGER4 (0.37) PTGER4CHRM2CHRM4CHRM5CHRM1
SCHEMBL6270623 0.91 PTGER4 (0.38) PTGER4ADRB3CCR5ADRB1FKBP1A
SCHEMBL6802969 0.90 PTGER4 (0.37) PTGER4ADRB3CCR5ADRB1FKBP1A
SCHEMBL6802975 0.90 PTGER4 (0.37) PTGER4ADRB3CCR5ADRB1FKBP1A
SCHEMBL6269059 0.88 PTGER4 (0.35) PTGER4ADRB3CCR5FKBP1AFKBP4
SCHEMBL6809306 0.86 PTGER4 (0.34) PTGER4ADRB3CCR5FKBP1AFKBP4
SCHEMBL6809311 0.86 PTGER4 (0.34) PTGER4ADRB3CCR5FKBP1AFKBP4

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-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 PTGER4 1794/4885CHRM2 106/4885CHRM4 467/4885

“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.