SCHEMBL9907417

SCHEMBL9907417

COC(=O)c1cc(C)c2nccc(-c3c(F)cccc3F)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.42
MAPK14 Q16539 3/20 0.41
CYP2C9 P11712 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A4 P31645 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
PDK2 Q15119 1/20 0.39
PSMD14 O00487 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TGFBR1 P36897 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
IL2 P60568 3/20 0.38
DYRK1A Q13627 1/20 0.37
NR1H2 P55055 2/20 0.37
KDM4E B2RXH2 1/20 0.36
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36

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
SCHEMBL9907420 0.92 MAPK14 (0.44) PTGDR2MAPK14CYP2C9PTGS1SLC6A4
SCHEMBL9907424 0.91 MAPK14 (0.39) PTGDR2MAPK14CYP2C9PTGS1SLC6A4
SCHEMBL9907468 0.91 PTGDR2 (0.39) PTGDR2MAPK14CYP2C9PTGS1SLC6A4
SCHEMBL9907519 0.88 PDK2 (0.35) PTGDR2MAPK14CYP2C9PTGS1SLC6A4
SCHEMBL9909254 0.88 GRM2 (0.37) PTGDR2MAPK14CYP2C9PTGS1SLC6A4
SCHEMBL9907425 0.86 PTGDR2 (0.47) PTGDR2MAPK14CYP2C9PTGS1SLC6A4
SCHEMBL9907465 0.86 PDK2 (0.39) PTGDR2MAPK14PDK2PSMD14ALDH1A1
SCHEMBL9907463 0.86 NR1H2 (0.44) PTGDR2MAPK14CYP2C9PTGS1SLC6A4
SCHEMBL9909171 0.85 GPBAR1 (0.38) PTGDR2CYP2C9PTGS1SLC6A4CYP2C19
SCHEMBL9907533 0.83 NPC1 (0.42) MAPK14PDK2ALDH1A1L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
WO-2011016504-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2011-02-10 WO 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E PTGDR2 977/4885MAPK14 3810/4885CYP2C9 597/4885

“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.