SCHEMBL5653856

SCHEMBL5653856

O=C(NCCC[C@H](NC(=O)c1cc2ccccc2o1)C(=O)NCCc1ccc(C(=O)O)cc1)OCc1ccccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.62
TP53 P04637 2/20 0.44
MCHR1 Q99705 1/20 0.42
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
MMP8 P22894 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NAMPT P43490 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
TPSAB1 Q15661 2/20 0.39
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
KEAP1 Q14145 1/20 0.38

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
SCHEMBL5652845 0.93 PTGER4 (0.59) PTGER4TP53MCHR1TAS1R3TAS1R1
SCHEMBL5655171 0.91 PTGER4 (0.75) PTGER4TP53MCHR1TAS1R3TAS1R1
SCHEMBL5651763 0.86 PTGER4 (0.61) PTGER4TP53MCHR1TAS1R3TAS1R1
SCHEMBL5654281 0.86 PTGER4 (0.59) PTGER4TP53MCHR1MMP8NPC1
SCHEMBL5653684 0.84 PTGER4 (0.72) PTGER4MCHR1TAS1R3TAS1R1MMP8
SCHEMBL5654420 0.84 PTGER4 (0.74) PTGER4MCHR1TAS1R3TAS1R1SMN1; SMN2
SCHEMBL5654468 0.83 PTGER4 (0.64) PTGER4TP53MCHR1TAS1R3TAS1R1
SCHEMBL5654297 0.81 PTGER4 (0.58) PTGER4TP53MCHR1MMP8NPC1
SCHEMBL5655307 0.80 PTGER4 (0.55) PTGER4TP53MCHR1TAS1R3TAS1R1
SCHEMBL5653410 0.80 PTGER4 (0.55) PTGER4TP53MCHR1TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142638-A1 Ornithine derivatives as prostaglandin e2 agonists or antagonists ASTELLAS PHARMA INC. (JP) 2007-06-21 US 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-20070142638-A1 Ornithine derivatives as prostaglandin e2 agonists or antagonists PTGER4, OXER1, RXFP4 PTGER4 1/4885TP53 3377/4885MCHR1 781/4885

“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.