SCHEMBL9907467

SCHEMBL9907467

Cc1cc(C(=O)O)cc2c(-c3cccc(F)c3Cl)ccnc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
CTSA P10619 3/20 0.38
CYP2C9 P11712 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A4 P31645 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS2 P35354 1/20 0.38
TTR P02766 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.36
RORC P51449 6/20 0.35
DYRK1A Q13627 1/20 0.35
KMO O15229 1/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34

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
SCHEMBL9907452 0.88 CTSA (0.42) PTGDR2CTSACYP2C9PTGS1SLC6A4
SCHEMBL9907465 0.88 PDK2 (0.39) PTGDR2GPBAR1CTSADYRK1A
SCHEMBL9907425 0.85 PTGDR2 (0.47) PTGDR2GPBAR1CYP2C9PTGS1SLC6A4
SCHEMBL9907422 0.85 PTGDR2 (0.45) PTGDR2CYP2C9PTGS1SLC6A4CYP2C19
SCHEMBL9907838 0.85 HTR5A (0.49)
SCHEMBL9907490 0.82 KMO (0.48) PTGDR2PTGS1MRGPRX4RORCKMO
SCHEMBL9907464 0.81 PTGDR2 (0.46) PTGDR2CYP2C9PTGS1SLC6A4CYP2C19
SCHEMBL9907428 0.80 MAPK14 (0.43) GPBAR1KMOKDM5AKDM4CKDM5B
SCHEMBL9907476 0.80 TOP2A (0.40) PTGDR2MRGPRX4RORCKDM5AKDM4C
SCHEMBL9907470 0.80 CSNK2A2 (0.41) GPBAR1CTSACYP2C9TTRRORC

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 977/4885GPBAR1 164/4885CTSA 1917/4885

“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.