SCHEMBL9900447

SCHEMBL9900447

O=C(O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CC(C(=O)c4cccc(F)c4)C3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.41
PTGER4 P35408 10/20 0.40
PTGDR Q13258 2/20 0.40
PTGER2 P43116 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TBXA2R P21731 1/20 0.38
PTGER1 P34995 1/20 0.38
PTGFR P43088 1/20 0.38
PTGER3 P43115 1/20 0.38
MGLL Q99685 1/20 0.36
USP2 O75604 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL9923390 0.91 CTSS (0.40) CTSSPTGER4PTGER2NPC1RAB9A
SCHEMBL15294775 0.88 PTGER4 (0.38) CTSSPTGER4PTGDRPTGER2NPC1
SCHEMBL9901192 0.88 PTGER4 (0.38) CTSSPTGER4PTGDRPTGER2NPC1
SCHEMBL9900881 0.86 PTGER4 (0.47) CTSSPTGER4PTGDRPTGER2TBXA2R
SCHEMBL9900499 0.86 PTGER4 (0.40) CTSSPTGER4PTGDRPTGER2NPC1
SCHEMBL9900101 0.85 PTGER4 (0.46) CTSSPTGER4PTGDRPTGER2TBXA2R
SCHEMBL9900936 0.84 PTGER4 (0.41) CTSSPTGER4PTGDRPTGER2TBXA2R
SCHEMBL9901950 0.84 PTGER4 (0.41) CTSSPTGER4PTGDRPTGER2TBXA2R
SCHEMBL9923490 0.84 PTGER4 (0.43) CTSSPTGER4PTGDRPTGER2TBXA2R
SCHEMBL9900688 0.83 PTGER4 (0.41) CTSSPTGER4PTGDRPTGER2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649061-B1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Rottapharm Biotech Srl (IT) 2015-05-13 EP claimed
US-8828987-B2 Pyridine amide derivatives as EP4 receptor antagonists ROTTAPHARM BIOTECH S.R.L. (IT) 2014-09-09 US claimed
US-20130261100-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM BIOTECH S.R.L. (IT) 2013-10-03 US claimed
EP-2649061-B1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Rottapharm Biotech Srl (IT) 2015-05-13 EP disclosed
EP-2649061-B1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Rottapharm Biotech Srl (IT) 2015-05-13 EP disclosed
US-8828987-B2 Pyridine amide derivatives as EP4 receptor antagonists ROTTAPHARM BIOTECH S.R.L. (IT) 2014-09-09 US disclosed
US-8828987-B2 Pyridine amide derivatives as EP4 receptor antagonists ROTTAPHARM BIOTECH S.R.L. (IT) 2014-09-09 US disclosed
US-8828987-B2 Pyridine amide derivatives as EP4 receptor antagonists ROTTAPHARM BIOTECH S.R.L. (IT) 2014-09-09 US disclosed
EP-2649061-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Rottapharm S.p.A. (IT) 2013-10-16 EP disclosed
US-20130261100-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM BIOTECH S.R.L. (IT) 2013-10-03 US disclosed
US-20130261100-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM BIOTECH S.R.L. (IT) 2013-10-03 US disclosed
US-20130261100-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM BIOTECH S.R.L. (IT) 2013-10-03 US disclosed
WO-2012076063-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM S.P.A. (IT) 2012-06-14 WO disclosed
WO-2012076063-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM S.P.A. (IT) 2012-06-14 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-20130261100-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS PTGER4, PTGER1, CNR1 CTSS 1555/4885PTGER4 1/4885PTGDR 12/4885

“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.