SCHEMBL5653832

SCHEMBL5653832

COC(=O)CCCCCNC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.62
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
SIRT2 Q8IXJ6 7/20 0.49
SIRT1 Q96EB6 5/20 0.49
SIRT3 Q9NTG7 5/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
CPB1 P15086 1/20 0.49
CPB2 Q96IY4 1/20 0.49
NR1H4 Q96RI1 1/20 0.49

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
SCHEMBL5657140 0.92 PTGER4 (0.73) PTGER4CA1CA2SIRT2SIRT1
SCHEMBL27656055 0.92 PTGER4 (0.73) PTGER4CA1CA2SIRT2SIRT1
SCHEMBL5653166 0.90 PTGER4 (0.62) PTGER4CA1CA2SIRT2SIRT1
SCHEMBL5655225 0.90 PTGER4 (0.62) PTGER4CA1CA2SIRT2SIRT1
SCHEMBL5656118 0.90 PTGER4 (0.59) PTGER4CA1CA2SIRT2SIRT1
SCHEMBL5653753 0.86 NR1H4 (0.49) PTGER4CA1CA2SIRT2SIRT1
SCHEMBL5655204 0.84 PTGER4 (0.62) PTGER4CA1CA2SIRT2SIRT1
SCHEMBL5654995 0.84 PTGER4 (0.59) PTGER4SIRT2SIRT1SIRT3MEN1
SCHEMBL8121354 0.83 PTGER4 (0.54) PTGER4CA1CA2
SCHEMBL5654338 0.82 PTGER4 (0.56) PTGER4SIRT2SIRT1SIRT3MEN1

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 1/4885CA1 3110/4885CA2 1723/4885

“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.