SCHEMBL13633978

SCHEMBL13633978

Cc1ccc(Nc2c(C)cccc2F)c(CC(=O)O)c1

nearest known ligand 0.88

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.80
PTGS1 P23219 2/20 0.78
ABCB11 O95342 1/20 0.78
PPARG P37231 1/20 0.78
NR1I3 Q14994 1/20 0.78
CAMK2A Q9UQM7 1/20 0.49
CXCL8 P10145 2/20 0.48
CLIC1 O00299 1/20 0.43
CLCN2 P51788 1/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL17917294 0.93 PTGS2 (0.85) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL6036626 0.91 PTGS2 (0.82) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL16746714 0.90 PTGS2 (0.65) PTGS2PTGS1ABCB11PPARGNR1I3
Lumiracoxib SCHEMBL29475008 0.88 PTGS2 (1.00) PTGS2PTGS1ABCB11PPARGNR1I3
Lumiracoxib SCHEMBL29377334 0.88 PTGS2 (1.00) PTGS2PTGS1ABCB11PPARGNR1I3
Lumiracoxib SCHEMBL4479 0.88 PTGS2 (1.00) PTGS2PTGS1ABCB11PPARGNR1I3
Lumiracoxib SCHEMBL27680523 0.86 PTGS2 (0.98) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL1031330 0.85 PTGS2 (0.73) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL1029096 0.85 PTGS2 (1.00) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL1032907 0.83 PTGS2 (0.69) PTGS2PTGS1ABCB11PPARGNR1I3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2960253-A1 HUMAN MONOCLONAL ANTIBODIES TO ACTIVIN RECEPTOR-LIKE KINASE-1 Amgen Fremont Inc. (US) 2015-12-30 EP disclosed
US-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS BHATTACHARYA SAMIT KUMAR 2009-11-12 US disclosed
US-20090215742-A1 AMIDE RESORCINOL COMPOUNDS PFIZER, INC. 2009-08-27 US disclosed
US-7537762-B2 Human monoclonal antibodies to activin receptor-like kinase-1 AMGEN FREMONT, INC. (US) 2009-05-26 US disclosed
US-20090111805-A1 BICYCLIC HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. 2009-04-30 US disclosed
US-20070065444-A1 Human monoclonal antibodies to activin receptor-like kinase-1 AMGEN FREMONT INC. (US) 2007-03-22 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 (4 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-20090111805-A1 BICYCLIC HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNB1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNY PTGS2 3711/4885PTGS1 2642/4885ABCB11 123/4885
US-20090215742-A1 AMIDE RESORCINOL COMPOUNDS HSP90AB1, HSP90AA1, HSP90AB2P PTGS2 2000/4885PTGS1 1974/4885ABCB11 29/4885
US-20070065444-A1 Human monoclonal antibodies to activin receptor-like kinase-1 SMAD3, SMAD2, ACVR1 PTGS2 4769/4885PTGS1 4487/4885ABCB11 4469/4885
US-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNY, TP53, CCNE1 PTGS2 3101/4885PTGS1 2342/4885ABCB11 221/4885

“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.