SCHEMBL5654612

SCHEMBL5654612

COC(=O)c1ccc2cc(NC(=O)[C@H](CCCNC(=O)OCc3ccccc3)NC(=O)c3cc4ccccc4o3)ccc2c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.65
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
SIRT2 Q8IXJ6 9/20 0.44
SIRT1 Q96EB6 9/20 0.44
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
SIRT3 Q9NTG7 3/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP3 P42574 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 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
SCHEMBL5654913 0.93 PTGER4 (0.67) PTGER4NPC1RAB9ACA1CA2
SCHEMBL5653676 0.90 PTGER4 (0.64) PTGER4MEN1KMT2ANPC1RAB9A
SCHEMBL5653440 0.90 PTGER4 (0.63) PTGER4MEN1KMT2ANPC1RAB9A
SCHEMBL5652303 0.90 PTGER4 (0.63) PTGER4MEN1KMT2ANPC1RAB9A
SCHEMBL5797231 0.87 PTGER4 (0.77) PTGER4NPC1RAB9ASIRT2SIRT1
SCHEMBL5653684 0.85 PTGER4 (0.72) PTGER4CA1CA2TAS1R3TAS1R1
SCHEMBL5654459 0.85 PTGER4 (0.63) PTGER4MEN1KMT2ANPC1RAB9A
SCHEMBL5797447 0.85 PTGER4 (0.71) PTGER4SIRT2SIRT1SIRT3
SCHEMBL5653187 0.85 PTGER4 (0.71) PTGER4MEN1KMT2ANPC1RAB9A
SCHEMBL5737965 0.84 PTGER4 (0.70) PTGER4SIRT2SIRT1SIRT3

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 4001/4885KMT2A 1128/4885

“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.