SCHEMBL9907486

SCHEMBL9907486

Cc1cc(C(=O)O)cc2c(-c3c(F)cc(F)cc3Cl)ccnc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.38
CYP2C9 P11712 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A4 P31645 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGS2 P35354 1/20 0.37
RORC P51449 4/20 0.36
HTR5A P47898 2/20 0.35
MAPK14 Q16539 1/20 0.35
TTR P02766 3/20 0.34
GRM2 Q14416 1/20 0.34
KDM4A O75164 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33

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
SCHEMBL9907418 0.92 HTR5A (0.41) PTGDR2CYP2C9PTGS1SLC6A4CYP2C19
SCHEMBL15500524 0.91 PTGDR2 (0.36) PTGDR2CYP2C9PTGS1SLC6A4CYP2C19
SCHEMBL9907483 0.88 MAPK14 (0.37) PTGDR2CYP2C9PTGS1SLC6A4CYP2C19
SCHEMBL9907422 0.86 PTGDR2 (0.45) PTGDR2CYP2C9PTGS1SLC6A4CYP2C19
SCHEMBL9907847 0.85 HTR5A (0.52) HTR5A
SCHEMBL9907471 0.84 PTGDR2 (0.43) PTGDR2CYP2C9PTGS1SLC6A4CYP2C19
SCHEMBL9907427 0.84 RORC (0.39) PTGDR2RORCHTR5AMAPK14TTR
SCHEMBL9907428 0.84 MAPK14 (0.43) HTR5AMAPK14GRM2KDM4AKDM5A
SCHEMBL9907464 0.82 PTGDR2 (0.46) PTGDR2CYP2C9PTGS1SLC6A4CYP2C19
SCHEMBL9907425 0.82 PTGDR2 (0.47) PTGDR2CYP2C9PTGS1SLC6A4CYP2C19

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 7 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
EP-2463276-B1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2014-03-12 EP disclosed
EP-2463276-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-06-13 EP 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 977/4885CYP2C9 597/4885PTGS1 2248/4885

“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.