SCHEMBL1504495

SCHEMBL1504495

O=C(O)c1ccc(=O)n(-c2c(F)cccc2F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.46
RORC P51449 11/20 0.40
CYP3A4 P08684 4/20 0.39
MAPK14 Q16539 2/20 0.38
CYP2C9 P11712 4/20 0.38
ALB P02768 1/20 0.37
CREBBP Q92793 1/20 0.37
CYP1A2 P05177 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
BCL2L1 Q07817 1/20 0.35
BAD Q92934 1/20 0.35

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
SCHEMBL1504744 0.90 RORC (0.45) TTRRORCCYP3A4CYP2C9CYP1A2
SCHEMBL1504761 0.85 ALDH1A1 (0.38) TTRRORCCYP3A4MAPK14CYP2C9
SCHEMBL30159267 0.83 TTR (0.42) TTRRORCCYP3A4CYP2C9ALB
SCHEMBL1504002 0.83 TTR (0.42) TTRRORCCYP3A4CYP2C9ALB
SCHEMBL16672403 0.82 PTGS1 (0.44) TTRRORCCYP3A4CYP2C9CYP2C19
SCHEMBL30159505 0.82 PTGS1 (0.44) TTRRORCCYP3A4CYP2C9CYP2C19
SCHEMBL1504529 0.81 ALDH1A1 (0.46) MAPK14TSHR
SCHEMBL375200 0.80 RORC (0.42) TTRRORCCYP3A4CYP2C9CYP1A2
SCHEMBL375290 0.80 SLC22A12 (0.40) RORCCYP2C9CREBBPCYP1A2
SCHEMBL1504557 0.79 HDAC1 (0.45) MAPK14CREBBPTP53

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-8173684-B2 Pyridone derivatives as p38α MAPK inhibitors ASTELLAS PHARMA INC. (JP) 2012-05-08 US disclosed
EP-2155683-B1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC (JP) 2011-03-16 EP disclosed
US-20100063098-A1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC. (JP) 2010-03-11 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-20100063098-A1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS MAPK1, MAPK6, MAPK3 TTR 2993/4885RORC 861/4885CYP3A4 743/4885

“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.