SCHEMBL1131301

SCHEMBL1131301

COc1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3nc(/C=C/C(=O)O)cn3C3CCCCC3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.39
FFAR4 Q5NUL3 3/20 0.39
NR1H4 Q96RI1 3/20 0.38
PTGER4 P35408 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR1 P21554 3/20 0.36
CNR2 P34972 2/20 0.36
ALOX5 P09917 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
BRD4 O60885 1/20 0.35
S1PR1 P21453 1/20 0.35
CMKLR1 Q99788 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNA3 P22001 1/20 0.34
VDR P11473 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
SCHEMBL1131302 1.00 FFAR1 (0.39) FFAR1FFAR4NR1H4PTGER4MEN1
SCHEMBL1131931 0.93 NR1H4 (0.40) FFAR1FFAR4NR1H4PTGER4MEN1
SCHEMBL1131929 0.93 NR1H4 (0.40) FFAR1FFAR4NR1H4PTGER4MEN1
SCHEMBL1131288 0.89 FFAR1 (0.39) FFAR1FFAR4NR1H4PTGER4MEN1
SCHEMBL1131291 0.89 FFAR1 (0.39) FFAR1FFAR4NR1H4PTGER4MEN1
SCHEMBL1132049 0.86 PTPN11 (0.37) FFAR1FFAR4NR1H4MEN1KMT2A
SCHEMBL1131724 0.86 PTPN11 (0.37) FFAR1FFAR4NR1H4MEN1KMT2A
SCHEMBL1131325 0.84 CMKLR1 (0.40) FFAR1FFAR4PTGER4CNR1CNR2
SCHEMBL1132389 0.84 CMKLR1 (0.40) FFAR1FFAR4PTGER4CNR1CNR2
SCHEMBL1132050 0.81 CNR1 (0.38) FFAR1FFAR4NR1H4PTGER4MEN1

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 9 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
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-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 FFAR1 3597/4885FFAR4 4141/4885NR1H4 49/4885

“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.