SCHEMBL4101700

SCHEMBL4101700

CC(C)Oc1ccc(-c2cc3c(cc(C(=O)O)n3-c3ccc(C=CC(=O)O)cc3)s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.48
NPC1 O15118 1/20 0.43
THRB P10828 1/20 0.38
ATM Q13315 1/20 0.38
ESR1 P03372 6/20 0.38
PTGDR Q13258 1/20 0.37
GCK P35557 1/20 0.37
BCL2 P10415 3/20 0.36
MDM2 Q00987 3/20 0.36
MCL1 Q07820 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL4101699 1.00 PTGES (0.48) PTGESNPC1THRBATMESR1
SCHEMBL4097942 0.90 PTGES (0.57) PTGESBCL2MDM2MCL1
SCHEMBL4096225 0.81 PTGES (0.54) PTGESBCL2MDM2MCL1KDM4E
SCHEMBL4086721 0.80 PTGES (0.48) PTGESBCL2MDM2MCL1
SCHEMBL4092676 0.79 PTGES (0.47) PTGESPTGDRBCL2MDM2MCL1
SCHEMBL4105667 0.77 PTGES (0.48) PTGESTHRBBCL2MDM2MCL1
SCHEMBL4086547 0.77 MAPT (0.46) PTGESNPC1KDM4E
SCHEMBL4091286 0.76 PTGES (0.44) PTGESPTGDRBCL2MDM2MCL1
SCHEMBL1207346 0.74 THRB (0.66) NPC1THRBATMESR1GCK
SCHEMBL1207345 0.74 THRB (0.66) NPC1THRBATMESR1GCK

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 3/4885NPC1 4849/4885THRB 291/4885

“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.