SCHEMBL5653183

SCHEMBL5653183

O=C(NCCC[C@H](NC(=O)c1cc2ccccc2o1)C(=O)Nc1ccccc1-c1ccc(C(=O)O)cc1)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.65
HDAC1 Q13547 3/20 0.45
HDAC2 Q92769 1/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
SIRT5 Q9NXA8 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOB P27338 1/20 0.42
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
HDAC4 P56524 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40

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
SCHEMBL5654459 0.93 PTGER4 (0.63) PTGER4HDAC1HDAC2CA1CA2
SCHEMBL5657013 0.93 PTGER4 (0.65) PTGER4HDAC1HDAC2CA1CA2
SCHEMBL5653855 0.88 PTGER4 (0.65) PTGER4HDAC1HDAC2SIRT5NPC1
SCHEMBL5655171 0.85 PTGER4 (0.75) PTGER4CA1CA2NPC1TP53
SCHEMBL5654479 0.85 PTGER4 (0.65) PTGER4HDAC1HDAC2SIRT5NPC1
SCHEMBL5797231 0.85 PTGER4 (0.77) PTGER4SIRT5NPC1TP53RAB9A
SCHEMBL5654913 0.85 PTGER4 (0.67) PTGER4HDAC1CA1CA2SIRT5
SCHEMBL5652963 0.83 PTGER4 (0.69) PTGER4HDAC1SIRT5NPC1RAB9A
SCHEMBL5653761 0.83 PTGER4 (0.74) PTGER4HDAC1SIRT5NPC1RAB9A
SCHEMBL5797447 0.83 PTGER4 (0.71) PTGER4HDAC1HDAC2SIRT5HDAC4

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 1/4885HDAC1 1416/4885HDAC2 815/4885

“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.