SCHEMBL4091286

SCHEMBL4091286

Cc1ccc(-n2c(C(=O)O)cc3sc(-c4ccc(OC(C)C)cc4)cc32)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.44
TSHR P16473 1/20 0.37
PTGDR Q13258 2/20 0.36
P2RX3 P56373 1/20 0.36
MCL1 Q07820 4/20 0.35
BCL2 P10415 3/20 0.35
MDM2 Q00987 3/20 0.35
MAPT P10636 3/20 0.34
XDH P47989 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MCHR1 Q99705 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33

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 0.85 PTGES (0.57) PTGESTSHRMCL1BCL2MDM2
SCHEMBL4096225 0.77 PTGES (0.54) PTGESTSHRMCL1BCL2MDM2
SCHEMBL4092676 0.77 PTGES (0.47) PTGESPTGDRMCL1BCL2MDM2
SCHEMBL4101700 0.76 PTGES (0.48) PTGESPTGDRMCL1BCL2MDM2
SCHEMBL4101699 0.76 PTGES (0.48) PTGESPTGDRMCL1BCL2MDM2
SCHEMBL4086721 0.76 PTGES (0.48) PTGESMCL1BCL2MDM2
SCHEMBL4086547 0.75 MAPT (0.46) PTGESTSHRMAPTKMT2AMEN1
SCHEMBL4105667 0.75 PTGES (0.48) PTGESTSHRP2RX3MCL1BCL2
SCHEMBL4098949 0.74 PTGES (0.41) PTGESTSHRP2RX3MCL1BCL2
SCHEMBL4025747 0.71 PTGES (0.57) PTGESMAPTLMNA

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 3/4885TSHR 560/4885PTGDR 68/4885

“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.