SCHEMBL8180889

SCHEMBL8180889

CC(C)c1ccc(Cn2c(C(=O)NCc3ccc([N+](=O)[O-])cc3)c(CC(=O)O)c3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 2/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.47
PTGER4 P35408 1/20 0.47
P2RX4 Q99571 1/20 0.46
PPARG P37231 4/20 0.46
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.43
FOLH1 Q04609 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PLA2G2A P14555 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL8167328 0.89 MEN1 (0.52) S1PR3PTGDR2PTGER4PPARGLMNA
SCHEMBL8179717 0.87 PTGER4 (0.49) S1PR3PTGDR2PTGER4PPARGTHRA
SCHEMBL8178100 0.86 PTGDR2 (0.51) PTGDR2PTGER4PPARGALDH1A1THRA
SCHEMBL13952371 0.85 PTGER4 (0.48) S1PR3PTGDR2PTGER4PPARGALDH1A1
SCHEMBL8175838 0.85 PTGER4 (0.47) S1PR3PTGDR2PTGER4PPARGTHRA
SCHEMBL4261606 0.84 S1PR3 (0.52) S1PR3PTGDR2PTGER4PPARGLMNA
SCHEMBL8175849 0.82 PTGER4 (0.49) S1PR3PTGDR2PTGER4PPARGALDH1A1
SCHEMBL8167666 0.82 POLB (0.58) S1PR3PTGER4PPARGALDH1A1THRA
SCHEMBL13931389 0.81 PLA2G2A (0.49) S1PR3PTGER4PPARGALDH1A1THRA
SCHEMBL8165177 0.81 PPARG (0.47) S1PR3PTGDR2PTGER4PPARGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-02-19 US disclosed
WO-2008100867-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-08-21 WO 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-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS S1PR3 3354/4885PTGDR2 3932/4885PTGER4 4264/4885

“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.