SCHEMBL4094952

SCHEMBL4094952

CC(C)Oc1ccc(-n2c(C(=O)O)c(OC(C)C)c3cc(-c4ccc(C(F)(F)F)cc4)cnc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 3/20 0.51
▸ PPARG P37231 12/20 0.47
▸ PTGES O14684 2/20 0.44
▸ PPARA Q07869 4/20 0.42
▸ CYP3A4 P08684 1/20 0.39
▸ CYP3A5 P20815 1/20 0.39
▸ PTPN5 P54829 1/20 0.39
▸ PPARD Q03181 1/20 0.39

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
SCHEMBL4107237 0.90 PTPN11 (0.50) PTPN11PPARGPTGESPPARACYP3A4
SCHEMBL4104398 0.82 PPARG (0.41) PTPN11PPARGPTGESPPARAPPARD
SCHEMBL4100038 0.81 PTGES (0.60) PTPN11PTGESCYP3A4CYP3A5PTPN5
SCHEMBL4095194 0.80 PTPN11 (0.41) PTPN11PPARGPTGESPPARACYP3A4
SCHEMBL4096505 0.75 PTGES (0.44) PTPN11PPARGPTGESPPARA
SCHEMBL3011271 0.74 PTGES (0.45) PTPN11PPARGPTGESPPARA
SCHEMBL3001794 0.74 PTGES (0.45) PTPN11PPARGPTGESPPARA
SCHEMBL334396 0.74 PTGES (0.45) PTPN11PPARGPTGESPPARA
SCHEMBL3572273 0.73 PTGES (0.45) PPARGPTGESPPARA
SCHEMBL3006446 0.73 PTGES (0.44) PPARGPTGESPPARA

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 PTPN11 1154/4885PPARG 1316/4885PTGES 47/4885

“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.

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