SCHEMBL4089150

SCHEMBL4089150

CC(C)Oc1ccc(-n2c(C(=O)O)cc3c(-c4ccc(C5CCCCC5)cc4)nc(-c4ccc(C5CCCCC5)cc4)cc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.46
DHODH Q02127 2/20 0.42
MCL1 Q07820 7/20 0.41
BTK Q06187 1/20 0.41
CASR P41180 2/20 0.41
FFAR1 O14842 2/20 0.35
BCL2 P10415 3/20 0.35
MDM2 Q00987 3/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
APP P05067 1/20 0.34
ADCY1 Q08828 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
SCHEMBL4097221 0.82 PTGES (0.55) PTGESMCL1BTKCASRBCL2
SCHEMBL3571592 0.82 PTGES (0.68) PTGESDHODHMCL1BCL2MDM2
SCHEMBL4102890 0.78 EGLN1 (0.42) DHODHFFAR1
SCHEMBL4095101 0.73 PTGES (0.55) PTGESMCL1CASRBCL2MDM2
SCHEMBL4096031 0.72 PTGES (0.43) PTGESDHODHMCL1BTKCASR
SCHEMBL4923185 0.72 PTGDR (0.42) PTGESPOLBADCY1
SCHEMBL3577805 0.71 PTGES (0.53) PTGESPOLBMAPTAPP
SCHEMBL4918295 0.70 PTGDR (0.42) PTGESADCY1
SCHEMBL3007035 0.69 PTGES (0.48) PTGESCASRMAPTAPPADCY1
SCHEMBL3007508 0.69 PTGES (0.47) PTGESMCL1CASRBCL2MDM2

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-20090048285-A1 Pyrrolopyridines Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-02-19 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-20090048285-A1 Pyrrolopyridines Useful in the Treatment of Inflammation PYCR1, ARG2, ARG1 PTGES 47/4885DHODH 2403/4885MCL1 1709/4885

“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.