SCHEMBL4092676

SCHEMBL4092676

CC(C)Oc1ccc(-c2cc3c(cc(C(=O)O)n3-c3ccc(OC(C)C)nc3)s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.47
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
MCL1 Q07820 5/20 0.39
BCL2 P10415 4/20 0.39
MDM2 Q00987 4/20 0.39
ACACB O00763 2/20 0.37
ACACA Q13085 1/20 0.37
MCHR1 Q99705 1/20 0.36
S1PR1 P21453 1/20 0.36
KMT2A Q03164 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
PPARD Q03181 1/20 0.35
FDPS P14324 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL4097942 0.88 PTGES (0.57) PTGESMCL1BCL2MDM2MCHR1
SCHEMBL3571518 0.83 PTGES (0.68) PTGESPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL4096225 0.80 PTGES (0.54) PTGESMCL1BCL2MDM2MCHR1
SCHEMBL4101699 0.79 PTGES (0.48) PTGESMCL1BCL2MDM2PTGDR
SCHEMBL4101700 0.79 PTGES (0.48) PTGESMCL1BCL2MDM2PTGDR
SCHEMBL3627558 0.79 PTGES (0.68) PTGESPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL4086721 0.78 PTGES (0.48) PTGESMCL1BCL2MDM2ACACB
SCHEMBL4105667 0.78 PTGES (0.48) PTGESMCL1BCL2MDM2MCHR1
SCHEMBL4091286 0.77 PTGES (0.44) PTGESMCL1BCL2MDM2MCHR1
SCHEMBL4098949 0.77 PTGES (0.41) PTGESMCL1BCL2MDM2MCHR1

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-20090069384-A1 THIENOPYRROLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2009-03-12 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-20090069384-A1 THIENOPYRROLES USEFUL IN THE TREATMENT OF INFLAMMATION NPY5R, TH, PTGES PTGES 3/4885PIK3CD 4576/4885PIK3CA 4117/4885

“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.