SCHEMBL5653115

SCHEMBL5653115

COC(=O)/C=C/c1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2o1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.64
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
SIRT5 Q9NXA8 1/20 0.41
MAOB P27338 1/20 0.41
CPB1 P15086 1/20 0.40
CPB2 Q96IY4 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SIRT1 Q96EB6 1/20 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
SCHEMBL5652909 0.93 PTGER4 (0.66) PTGER4HDAC1HDAC6TAS1R3TAS1R1
SCHEMBL5652912 0.93 PTGER4 (0.66) PTGER4HDAC1HDAC6TAS1R3TAS1R1
SCHEMBL5653121 0.87 PTGER4 (0.65) PTGER4HDAC1HDAC6TAS1R3TAS1R1
SCHEMBL5653118 0.87 PTGER4 (0.65) PTGER4HDAC1HDAC6TAS1R3TAS1R1
SCHEMBL5655085 0.86 PTGER4 (0.46) PTGER4HDAC1HDAC6TAS1R3TAS1R1
SCHEMBL5656209 0.85 PTGER4 (0.65) PTGER4HDAC1HDAC6TAS1R3TAS1R1
SCHEMBL5797231 0.83 PTGER4 (0.77) PTGER4SIRT5NPC1RAB9ASIRT1
SCHEMBL5653989 0.83 PTGER4 (0.67) PTGER4HDAC1HDAC6TAS1R3TAS1R1
SCHEMBL5652963 0.82 PTGER4 (0.69) PTGER4HDAC1HDAC6TAS1R3TAS1R1
SCHEMBL5653761 0.82 PTGER4 (0.74) PTGER4HDAC1SIRT5MAOBMEN1

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 1416/4885HDAC6 2949/4885

“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.