SCHEMBL4854202

SCHEMBL4854202

CCOC(=O)COc1ccc(NC(=O)OC(C)(C)C)cc1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.47
NLRP3 Q96P20 1/20 0.44
PPARG P37231 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.43
AAK1 Q2M2I8 2/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
CXCR1 P25024 1/20 0.42
CXCR2 P25025 1/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42

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
SCHEMBL4855183 0.88 ESR1 (0.51) NLRP3PPARGMAPTAAK1MAPK1
SCHEMBL4861392 0.86 FFAR1 (0.45) FFAR1LMNA
SCHEMBL4851692 0.86 S1PR1 (0.45) PPARGLMNAMAPTAAK1MAPK1
SCHEMBL4851453 0.86 RORC (0.54) NLRP3PPARGMAPTHPGD
SCHEMBL4851624 0.86 ALDH1A1 (0.55) PPARGLMNAMAPTHPGD
SCHEMBL25223765 0.85 TDP1 (0.52) FFAR1NLRP3LMNAMAPTMAPK1
SCHEMBL4859910 0.82 FFAR1 (0.47) FFAR1NLRP3LMNAMAPTMAPK1
SCHEMBL8477824 0.82 ALDH1A1 (0.61) MAPTMAPK1
SCHEMBL3500066 0.80 RORC (0.44) NLRP3PPARGLMNAMAPTHPGD
SCHEMBL4856473 0.80 EPHX2 (0.54) PPARGLMNAMAPTMAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345067-B2 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2008-03-18 US disclosed
EP-1636198-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 EP disclosed
WO-2004111020-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-12-23 WO disclosed
US-20040248951-A1 Aniline derivatives, their manufacture and use as pharmaceuticals F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-12-09 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-20040248951-A1 Aniline derivatives, their manufacture and use as pharmaceuticals PPARA, PPARD, PPARG FFAR1 24/4885NLRP3 4061/4885PPARG 3/4885

“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.