SCHEMBL6809306

SCHEMBL6809306

COC(=O)Nc1ccc(S(=O)(=O)c2ccc(CCN(C[C@H](OC3CCCCO3)c3cccc(Cl)c3)C(=O)OC(C)(C)C)cc2)cc1C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.34
IDH2 P48735 2/20 0.32
ADRB3 P13945 2/20 0.31
CCR5 P51681 2/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
FKBP1A P62942 1/20 0.30
FKBP4 Q02790 1/20 0.30
FKBP5 Q13451 1/20 0.30
YAP1 P46937 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
BLM P54132 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL6809311 1.00 PTGER4 (0.34) PTGER4IDH2ADRB3CCR5HTR2C
SCHEMBL6804277 0.89 PTGER4 (0.34) PTGER4IDH2ADRB3CCR5POLB
SCHEMBL6804273 0.89 PTGER4 (0.34) PTGER4IDH2ADRB3CCR5POLB
SCHEMBL6270623 0.89 PTGER4 (0.38) PTGER4IDH2ADRB3CCR5HTR2C
SCHEMBL6804852 0.88 PTGER4 (0.33) PTGER4IDH2ADRB3CCR5POLB
SCHEMBL6804860 0.88 PTGER4 (0.33) PTGER4IDH2ADRB3CCR5POLB
SCHEMBL6269059 0.88 PTGER4 (0.35) PTGER4IDH2ADRB3CCR5FKBP1A
SCHEMBL6802975 0.88 PTGER4 (0.37) PTGER4IDH2ADRB3CCR5FKBP1A
SCHEMBL6802969 0.88 PTGER4 (0.37) PTGER4IDH2ADRB3CCR5FKBP1A
SCHEMBL6676570 0.87 PTGER4 (0.33) PTGER4ADRB3CCR5POLB

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 1794/4885IDH2 929/4885ADRB3 150/4885

“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.