SCHEMBL5654913

SCHEMBL5654913

O=C(NCCC[C@H](NC(=O)c1cc2ccccc2o1)C(=O)Nc1ccc2cc(C(=O)O)ccc2c1)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.67
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SIRT5 Q9NXA8 4/20 0.45
HDAC1 Q13547 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
SIRT2 Q8IXJ6 8/20 0.44
SIRT1 Q96EB6 8/20 0.44
SIRT3 Q9NTG7 3/20 0.43

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
SCHEMBL5654612 0.93 PTGER4 (0.65) PTGER4NPC1RAB9ACA1CA2
SCHEMBL5797231 0.89 PTGER4 (0.77) PTGER4NPC1TP53RAB9ASMN1; SMN2
SCHEMBL5654479 0.89 PTGER4 (0.65) PTGER4NPC1TP53RAB9ASMN1; SMN2
SCHEMBL5653855 0.89 PTGER4 (0.65) PTGER4NPC1TP53RAB9ASMN1; SMN2
SCHEMBL5797447 0.87 PTGER4 (0.71) PTGER4SIRT5HDAC1SIRT2SIRT1
SCHEMBL5737965 0.86 PTGER4 (0.70) PTGER4SIRT5HDAC1SIRT2SIRT1
SCHEMBL5669392 0.86 PTGER4 (0.71) PTGER4SIRT5HDAC1SIRT2SIRT1
SCHEMBL5655171 0.85 PTGER4 (0.75) PTGER4NPC1TP53RAB9ASMN1; SMN2
SCHEMBL5653183 0.85 PTGER4 (0.65) PTGER4NPC1TP53RAB9ASMN1; SMN2
SCHEMBL5651837 0.85 PTGER4 (0.68) PTGER4SIRT5HDAC1SIRT2SIRT1

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 4 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 claimed
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 1/4885NPC1 3325/4885TP53 3377/4885

“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.