SCHEMBL9907418

SCHEMBL9907418

Cc1cc(C(=O)O)cc2c(-c3c(F)cc(F)cc3F)ccnc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 3/20 0.41
PTGDR2 Q9Y5Y4 4/20 0.40
CYP2C9 P11712 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A4 P31645 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.40
TTR P02766 3/20 0.38
MAPK14 Q16539 2/20 0.38
KDM5A P29375 2/20 0.36
KDM4C Q9H3R0 2/20 0.36
KDM5B Q9UGL1 2/20 0.36
KDM4A O75164 1/20 0.36
KMO O15229 2/20 0.36
RORC P51449 1/20 0.35
DYRK1A Q13627 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
SCHEMBL9907471 0.92 PTGDR2 (0.43) HTR5APTGDR2CYP2C9PTGS1SLC6A4
SCHEMBL9907486 0.92 PTGDR2 (0.38) HTR5APTGDR2CYP2C9PTGS1SLC6A4
SCHEMBL9907425 0.90 PTGDR2 (0.47) HTR5APTGDR2CYP2C9PTGS1SLC6A4
SCHEMBL9907460 0.88 TTR (0.43) HTR5APTGDR2CYP2C19TTRKDM5A
SCHEMBL9909218 0.88 PRKAB2 (0.39) PTGDR2CYP2C9PTGS1SLC6A4CYP2C19
SCHEMBL9907424 0.86 MAPK14 (0.39) HTR5APTGDR2CYP2C9PTGS1SLC6A4
SCHEMBL9907528 0.85 PTGDR2 (0.39) PTGDR2CYP2C9PTGS1SLC6A4CYP2C19
SCHEMBL9907427 0.85 RORC (0.39) HTR5APTGDR2TTRMAPK14KDM5A
SCHEMBL9907821 0.83 HTR5A (0.56) HTR5AMAPK14
SCHEMBL16151829 0.82 PTGDR2 (0.39) HTR5APTGDR2CYP2C9PTGS1SLC6A4

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 HTR5A 1/4885PTGDR2 977/4885CYP2C9 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.