SCHEMBL987689

SCHEMBL987689

O=C(NC[C@H]1CC[C@H](C(=O)O)CC1)c1cc(C(F)(F)F)cc2ccn(Cc3cc4ccccc4o3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.40
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
CYP3A5 P20815 1/20 0.36
MMP12 P39900 3/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGDR Q13258 1/20 0.35
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LIPC P11150 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
NPC1 O15118 1/20 0.34
MAOB P27338 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 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
SCHEMBL12584927 0.91 RAB9A (0.40) PTGER4KDM4EALDH1A1RAB9ACYP3A5
Bicarbonate SCHEMBL16143667 0.91 NPC1 (0.43) PTGER4KDM4EALDH1A1RAB9ACYP3A5
SCHEMBL988090 0.90 PTGER4 (0.41) PTGER4CYP3A5MMP12PTGDR
SCHEMBL987690 0.88 KDM4E (0.35) PTGER4KDM4EALDH1A1RAB9ACYP3A5
SCHEMBL988181 0.88 VCP (0.38) PTGER4KDM4EALDH1A1RAB9AMEN1
SCHEMBL987404 0.87 KDM4E (0.39) KDM4EALDH1A1RAB9AMEN1KMT2A
SCHEMBL12585983 0.84 PTGER4 (0.39) PTGER4ALDH1A1CYP3A5MMP12MEN1
Asp-7657 SCHEMBL29466677 0.83 PTGER4 (0.41) PTGER4ALDH1A1CYP3A5MMP12HDAC3
Asp-7657 SCHEMBL987755 0.83 PTGER4 (0.41) PTGER4ALDH1A1CYP3A5MMP12HDAC3
Asp-7657 SCHEMBL27855420 0.83 PTGER4 (0.41) PTGER4ALDH1A1CYP3A5MMP12HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598355-B2 Amide compound ASTELLAS PHARMA INC. (JP) 2013-12-03 US claimed
EP-2565191-A1 4-(Indol-7-ylcarbonylaminomethyl)cyclohexanecarboxylic acid derivatives as EP4 receptor antagonists useful for the treatment of chronic renal failure or diabetic nephropathy Astellas Pharma Inc. (JP) 2013-03-06 EP claimed
US-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 US claimed
EP-2277858-A1 AMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-01-26 EP claimed
EP-2565191-B1 4-(Indol-7-ylcarbonylaminomethyl)cyclohexanecarboxylic acid derivatives as EP4 receptor antagonists useful for the treatment of chronic renal failure or diabetic nephropathy ASTELLAS PHARMA INC (JP) 2014-10-08 EP disclosed
US-8598355-B2 Amide compound ASTELLAS PHARMA INC. (JP) 2013-12-03 US disclosed
EP-2565191-A1 4-(Indol-7-ylcarbonylaminomethyl)cyclohexanecarboxylic acid derivatives as EP4 receptor antagonists useful for the treatment of chronic renal failure or diabetic nephropathy Astellas Pharma Inc. (JP) 2013-03-06 EP disclosed
US-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 US disclosed
US-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 US disclosed
US-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 US disclosed
EP-2277858-A1 AMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-01-26 EP disclosed
WO-2009139373-A1 AMIDE COMPOUND アステラス製薬株式会社 (JP) 2009-11-19 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-20110144153-A1 AMIDE COMPOUND PTGER4, PTGER1, PTGER2 PTGER4 1/4885KDM4E 959/4885ALDH1A1 3089/4885

“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.