SCHEMBL4149233

SCHEMBL4149233

CCOC(=O)c1cc(C2=C(c3cc(C(F)(F)F)cnc3OCc3c(F)cccc3F)CCC2)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.38
PTGER1 P34995 3/20 0.38
PTGS1 P23219 1/20 0.38
CYP2C9 P11712 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
THRB P10828 1/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
BRAF P15056 3/20 0.35
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 2/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 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
SCHEMBL4149701 0.91 MRGPRX4 (0.39) PTGS2PTGER1PTGS1CYP2C9MRGPRX4
SCHEMBL4149183 0.90 PTGER1 (0.49) PTGS2PTGER1CYP2C9MRGPRX4KMT2A
SCHEMBL4159558 0.89 PTGER1 (0.44) PTGS2PTGER1PTGS1CYP2C9MRGPRX4
SCHEMBL4150643 0.89 PTGER1 (0.46) PTGS2PTGER1PTGS1CYP2C9THRB
SCHEMBL13697425 0.87 PTGS2 (0.38) PTGS2PTGER1PTGS1CYP2C9THRB
SCHEMBL4162608 0.87 PTGER1 (0.44) PTGS2PTGER1PTGS1CYP2C9MRGPRX4
SCHEMBL4163773 0.85 PTGER1 (0.40) PTGER1CYP2C9MRGPRX4THRBALDH1A1
SCHEMBL4150583 0.84 THRB (0.39) PTGER1CYP2C9THRBALDH1A1GAA
SCHEMBL4158553 0.84 PTGER1 (0.39) PTGS2PTGER1PTGS1CYP2C9MRGPRX4
SCHEMBL4159316 0.84 MRGPRX4 (0.42) PTGS2PTGER1CYP2C9MRGPRX4ALDH1A1

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-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 US disclosed
US-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 US disclosed
US-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 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-20090227591-A1 Cyclopentene compounds C1R, CYP1B1, ADORA2B PTGS2 1333/4885PTGER1 246/4885PTGS1 908/4885

“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.