SCHEMBL5652963

SCHEMBL5652963

O=C(O)COc1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2o1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.69
SIRT5 Q9NXA8 2/20 0.45
MAOB P27338 1/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FOLH1 Q04609 1/20 0.42
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
MCHR1 Q99705 1/20 0.42

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
SCHEMBL5651837 0.88 PTGER4 (0.68) PTGER4SIRT5HDAC1HDAC4HDAC6
SCHEMBL5653780 0.86 PTGER4 (0.82) PTGER4NPC1RAB9AFOLH1TAS1R3
SCHEMBL5797231 0.86 PTGER4 (0.77) PTGER4SIRT5NPC1RAB9ASMN1; SMN2
SCHEMBL5653761 0.86 PTGER4 (0.74) PTGER4SIRT5MAOBHDAC1NPC1
SCHEMBL5652912 0.84 PTGER4 (0.66) PTGER4SIRT5MAOBHDAC1HDAC4
SCHEMBL5652909 0.84 PTGER4 (0.66) PTGER4SIRT5MAOBHDAC1HDAC4
SCHEMBL5653232 0.83 PTGER4 (0.93) PTGER4SIRT5HDAC1FOLH1TAS1R3
SCHEMBL5653183 0.83 PTGER4 (0.65) PTGER4SIRT5MAOBHDAC1HDAC4
SCHEMBL5654843 0.83 PTGER4 (0.77) PTGER4MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL5653516 0.83 PTGER4 (0.98) PTGER4SIRT5HDAC1FOLH1

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 1/4885SIRT5 1504/4885MAOB 540/4885

“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.