SCHEMBL1132389

SCHEMBL1132389

COc1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3cc(C=CC(=O)O)nn3C3CCCCC3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CMKLR1 Q99788 3/20 0.40
PTGS2 P35354 1/20 0.38
FFAR4 Q5NUL3 4/20 0.38
FFAR1 O14842 3/20 0.38
FABP3 P05413 3/20 0.38
FABP4 P15090 3/20 0.38
S1PR1 P21453 2/20 0.37
PTGER4 P35408 1/20 0.35
MARS1 P56192 1/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
KCNA3 P22001 1/20 0.35
CCKAR P32238 2/20 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
SCHEMBL1131325 1.00 CMKLR1 (0.40) CMKLR1PTGS2FFAR4FFAR1FABP3
SCHEMBL1131312 0.93 CMKLR1 (0.38) CMKLR1PTGS2FFAR4FFAR1FABP3
SCHEMBL1131311 0.93 CMKLR1 (0.38) CMKLR1PTGS2FFAR4FFAR1FABP3
SCHEMBL1131843 0.88 CMKLR1 (0.40) CMKLR1PTGS2FFAR4FFAR1FABP3
SCHEMBL1131841 0.88 CMKLR1 (0.40) CMKLR1PTGS2FFAR4FFAR1FABP3
SCHEMBL1131371 0.85 FAAH (0.37) CMKLR1PTGS2FFAR4FFAR1FABP3
SCHEMBL1131367 0.85 FAAH (0.37) CMKLR1PTGS2FFAR4FFAR1FABP3
SCHEMBL1131301 0.84 FFAR1 (0.39) CMKLR1FFAR4FFAR1S1PR1PTGER4
SCHEMBL1132058 0.84 FFAR4 (0.38) PTGS2FFAR4FFAR1MARS1CNR1
SCHEMBL1132057 0.84 FFAR4 (0.38) PTGS2FFAR4FFAR1MARS1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663105-B1 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2011-02-16 EP claimed
EP-1663105-A4 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2009-04-15 EP claimed
JP-2007505114-A 2007-03-08 JP claimed
US-7112601-B2 Cycloalkyl heterocycles for treating hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-26 US claimed
EP-1663105-A2 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS Bristol-Myers Squibb Company (US) 2006-06-07 EP claimed
WO-2005034850-A2 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 WO claimed
US-20050075376-A1 Cycloalkyl heterocycles for treating Hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2005-04-07 US claimed
EP-1663105-B1 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2011-02-16 EP disclosed
EP-1663105-A4 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2009-04-15 EP disclosed
US-7112601-B2 Cycloalkyl heterocycles for treating hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-26 US disclosed
EP-1663105-A2 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS Bristol-Myers Squibb Company (US) 2006-06-07 EP disclosed
WO-2005034850-A2 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 WO disclosed
US-20050075376-A1 Cycloalkyl heterocycles for treating Hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2005-04-07 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-20050075376-A1 Cycloalkyl heterocycles for treating Hepatitis C virus HCCS, NSUN2, HAVCR2 CMKLR1 4064/4885PTGS2 1124/4885FFAR4 4141/4885

“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.