SCHEMBL5653835

SCHEMBL5653835

O=C(NCCC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NCCc1ccc(C(=O)O)cc1)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.54
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
MCHR1 Q99705 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 1/20 0.46
TACR2 P21452 5/20 0.45
CPB1 P15086 1/20 0.45
CPB2 Q96IY4 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
KLKB1 P03952 1/20 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
SCHEMBL5654840 0.93 PTGER4 (0.52) PTGER4MEN1USP2POLBBLM
SCHEMBL5822432 0.90 PTGER4 (0.51) PTGER4MCHR1CA1CA2TACR2
SCHEMBL5654076 0.86 PTGER4 (0.72) PTGER4TACR2CPB1CPB2
SCHEMBL5654741 0.85 PTGER4 (0.56) PTGER4CA1CA2CPB1CPB2
SCHEMBL5655171 0.85 PTGER4 (0.75) PTGER4MCHR1CA1CA2CPB1
SCHEMBL5655204 0.84 PTGER4 (0.62) PTGER4MEN1KMT2ACA1CA2
SCHEMBL5801537 0.81 PTGER4 (0.50) PTGER4MCHR1CA1CA2CPB1
SCHEMBL5652220 0.80 PTGER4 (0.55) PTGER4
SCHEMBL5654934 0.79 PTGER4 (0.48) PTGER4CA1CA2
SCHEMBL5655164 0.78 PTGER4 (0.48) PTGER4MCHR1TACR2

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 1/4885MEN1 4001/4885USP2 3185/4885

“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.