SCHEMBL5118153

SCHEMBL5118153

COc1ccc(-c2cccc(C(=O)O)c2)cc1C(=O)NNCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 17/20 0.53
▸ PPARD Q03181 7/20 0.50
▸ PPARG P37231 7/20 0.50
▸ PSEN1 P49768 3/20 0.48
▸ PSEN2 P49810 3/20 0.48
▸ APH1B Q8WW43 3/20 0.48
▸ NCSTN Q92542 3/20 0.48
▸ APH1A Q96BI3 3/20 0.48
▸ PSENEN Q9NZ42 3/20 0.48
▸ NR1H4 Q96RI1 1/20 0.45

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
SCHEMBL3416273 0.90 PPARA (0.64) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL5974323 0.78 PPARA (0.72) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL3417024 0.78 PPARA (0.50) PPARAPPARDPPARG
SCHEMBL13460899 0.76 PSEN1 (0.62) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL3415075 0.76 PPARD (0.79) PPARAPPARDPPARG
Hydrochloric Acid SCHEMBL5817028 0.73 MAPK14 (0.54) PPARANR1H4
SCHEMBL4831853 0.73 KIFC1 (0.59) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL4831857 0.73 KIFC1 (0.59) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL3992911 0.72 CFD (0.51) PPARAPPARDPPARG
SCHEMBL177453 0.72 DHODH (0.71) —

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor ASTRAZENECA AB (SE) 2008-06-19 — — US claimed
US-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 — — US disclosed
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-04-26 — — 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 (2 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-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor P2RX2, P2RX1, ADORA1 PPARA 1339/4885PPARD 779/4885PPARG 800/4885
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors DHPS, DPYD, TYMP PPARA 4004/4885PPARD 3977/4885PPARG 3783/4885

“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.

Send feedback