SCHEMBL5654840

SCHEMBL5654840

COC(=O)c1ccc(CCNC(=O)[C@H](CCCNC(=O)OCc2ccccc2)NC(=O)c2cc3ccccc3s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.52
CA1 P00915 2/20 0.47
CA2 P00918 1/20 0.47
MMP8 P22894 1/20 0.46
NAMPT P43490 1/20 0.45
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
CPB1 P15086 1/20 0.45
CPB2 Q96IY4 1/20 0.45
MCHR1 Q99705 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
CLK1 P49759 1/20 0.44
TACR2 P21452 3/20 0.44

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
SCHEMBL5653835 0.93 PTGER4 (0.54) PTGER4CA1CA2CPB1CPB2
SCHEMBL5822432 0.88 PTGER4 (0.51) PTGER4CA1CA2NAMPTTAS1R3
SCHEMBL5653684 0.85 PTGER4 (0.72) PTGER4CA1CA2MMP8NAMPT
SCHEMBL5655204 0.85 PTGER4 (0.62) PTGER4CA1CA2TAS1R3TAS1R1
SCHEMBL5654076 0.84 PTGER4 (0.72) PTGER4CPB1CPB2TACR2
SCHEMBL5654741 0.83 PTGER4 (0.56) PTGER4CA1CA2TAS1R3TAS1R1
SCHEMBL5656256 0.81 CTSK (0.54) CA1CA2MMP8CPB1CPB2
SCHEMBL5654934 0.80 PTGER4 (0.48) PTGER4CA1CA2TAS1R3TAS1R1
SCHEMBL5801537 0.79 PTGER4 (0.50) PTGER4CA1CA2TAS1R3TAS1R1
SCHEMBL5653187 0.79 PTGER4 (0.71) PTGER4CA1CA2NAMPTTAS1R3

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.