SCHEMBL5654297

SCHEMBL5654297

O=C(CCc1ccccc1)NCCC[C@H](NC(=O)c1cc2ccccc2o1)C(=O)NCCc1ccc(C(=O)O)cc1.[NaH]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.58
MCHR1 Q99705 1/20 0.46
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 2/20 0.45
MMP8 P22894 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
PIN1 Q13526 1/20 0.42
TACR2 P21452 1/20 0.42
NAMPT P43490 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL5654290 0.92 PTGER4 (0.57) PTGER4MCHR1NPC1SMN1; SMN2RAB9A
SCHEMBL5654281 0.91 PTGER4 (0.59) PTGER4MCHR1NPC1SMN1; SMN2RAB9A
SCHEMBL5651439 0.91 PTGER4 (0.58) PTGER4MCHR1NPC1RAB9AMMP8
SCHEMBL5653410 0.89 PTGER4 (0.55) PTGER4MCHR1NPC1SMN1; SMN2RAB9A
SCHEMBL5655307 0.89 PTGER4 (0.55) PTGER4MCHR1NPC1SMN1; SMN2RAB9A
SCHEMBL5655171 0.87 PTGER4 (0.75) PTGER4MCHR1NPC1SMN1; SMN2RAB9A
SCHEMBL5651763 0.84 PTGER4 (0.61) PTGER4MCHR1NPC1SMN1; SMN2RAB9A
SCHEMBL5654830 0.82 PTGER4 (0.56) PTGER4MCHR1NPC1SMN1; SMN2RAB9A
SCHEMBL5653405 0.82 PTGER4 (0.55) PTGER4MCHR1NPC1SMN1; SMN2RAB9A
SCHEMBL5655302 0.82 PTGER4 (0.55) PTGER4MCHR1NPC1SMN1; SMN2RAB9A

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 3 patents. 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
EP-1697337-A2 ORNITHINE DERIVATIVES AS PROSTAGLANDIN-E2-AGONISTS OR ANTAGONISTS Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061475-A2 ORNITHINE DERIVATIVES AS PROSTAGLANDIN E2 AGONISTS OR ANTAGONISTS ASTELLAS PHARMA INC. (JP) 2005-07-07 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-20070142638-A1 Ornithine derivatives as prostaglandin e2 agonists or antagonists PTGER4, OXER1, RXFP4 PTGER4 1/4885MCHR1 781/4885NPC1 3325/4885

“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.