SCHEMBL5654801

SCHEMBL5654801

COC(=O)CCc1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1ccc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.46
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
SIRT5 Q9NXA8 1/20 0.42
ITGB3 P05106 2/20 0.41
ITGAV P06756 2/20 0.41
SIRT1 Q96EB6 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SUCNR1 Q9BXA5 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL5654845 0.94 PTGER4 (0.50) PTGER4MMP2MMP9SIRT5ITGB3
SCHEMBL5654083 0.86 CA1 (0.52) PTGER4MMP2MMP9SIRT5SIRT1
SCHEMBL5653289 0.84 KLK7 (0.45) MMP2MMP9SIRT5ITGB3SIRT1
SCHEMBL5653989 0.83 PTGER4 (0.67) PTGER4SIRT5SIRT1SIRT2CA1
SCHEMBL5653554 0.83 SIRT5 (0.46) PTGER4SIRT5SIRT1SIRT2CA1
SCHEMBL5654264 0.82 CA1 (0.47) PTGER4SIRT5SIRT1SIRT2CA1
SCHEMBL5653535 0.82 HDAC1 (0.45) PTGER4SIRT5HDAC3HDAC4HDAC1
SCHEMBL5740585 0.82 CA1 (0.50) PTGER4SIRT5SIRT1SIRT2CA1
SCHEMBL5656235 0.82 MMP2 (0.47) MMP2MMP9SIRT5ITGB3ITGAV
SCHEMBL5652454 0.81 PTGER4 (0.41) PTGER4MMP2MMP9SIRT5SIRT1

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 1/4885MMP2 3589/4885MMP9 4006/4885

“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.