SCHEMBL8175338

SCHEMBL8175338

CC(C)c1ccc(Cn2c(C(=O)NC3CCCCC3)c(CC(=O)O)c3cc(Br)ccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
PLA2G2A P14555 1/20 0.41
CNR2 P34972 6/20 0.41
CNR1 P21554 5/20 0.41
FAAH O00519 2/20 0.41
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE6D O43924 1/20 0.40
PPARG P37231 1/20 0.40
TP53 P04637 2/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
DVL1 O14640 1/20 0.39
DVL3 Q92997 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
RAB9A P51151 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38

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
SCHEMBL13931387 0.96 PTGS2 (0.45) PTGS2PLA2G2ACNR2PPARGHDAC1
SCHEMBL13931388 0.92 PPARG (0.42) PTGS2PLA2G2ACNR2PPARGHDAC1
SCHEMBL8179587 0.86 PTGS2 (0.50) PTGS2PLA2G2AKDM4EPPARGHDAC1
SCHEMBL8174890 0.86 L3MBTL1 (0.46) PTGS2PLA2G2ACNR1TP53HDAC1
SCHEMBL8181548 0.85 PPARG (0.40) PTGS2PLA2G2AKDM4EPDE6DPPARG
SCHEMBL13931396 0.82 PLA2G2A (0.48) PTGS2PLA2G2AFAAHSMN1; SMN2PPARG
SCHEMBL13931389 0.81 PLA2G2A (0.49) PTGS2PLA2G2APPARGPTGESALOX5
SCHEMBL13931386 0.81 PTGS2 (0.46) PTGS2PLA2G2ARXFP1PTGESALOX5
SCHEMBL13931390 0.79 PPARG (0.50) PTGS2PLA2G2APPARG
SCHEMBL8175805 0.78 PTGS2 (0.54) PTGS2PLA2G2AKDM4ESMN1; SMN2PTGES

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-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-02-19 US disclosed
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 PTGS2 2426/4885PLA2G2A 3963/4885CNR2 1732/4885

“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.