SCHEMBL5656235

SCHEMBL5656235

COC(=O)CCc1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.47
MMP9 P14780 3/20 0.47
FOLH1 Q04609 2/20 0.44
SIRT5 Q9NXA8 1/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP13 P45452 1/20 0.44
ITGB3 P05106 2/20 0.43
ITGAV P06756 2/20 0.43
HTT P42858 1/20 0.42
SIRT1 Q96EB6 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
CPB1 P15086 1/20 0.41
CPB2 Q96IY4 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 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
SCHEMBL5655056 0.92 FOLH1 (0.51) MMP2MMP9FOLH1SIRT5MMP1
SCHEMBL5654083 0.88 CA1 (0.52) MMP2MMP9FOLH1SIRT5SIRT1
SCHEMBL5653482 0.85 FOLH1 (0.41) FOLH1SIRT5HTTSIRT1SIRT2
SCHEMBL5654708 0.84 MMP2 (0.53) MMP2MMP9FOLH1MMP1MMP3
SCHEMBL5653258 0.83 KLK7 (0.51) SIRT5ITGB3SIRT1SIRT2
SCHEMBL5653554 0.83 SIRT5 (0.46) FOLH1SIRT5SIRT1SIRT2HDAC1
Hydrochloric Acid SCHEMBL5654778 0.83 ANPEP (0.55) FOLH1SIRT5HTT
SCHEMBL5654801 0.82 PTGER4 (0.46) MMP2MMP9SIRT5ITGB3ITGAV
SCHEMBL5740585 0.81 CA1 (0.50) FOLH1SIRT5SIRT1SIRT2
SCHEMBL5653753 0.80 NR1H4 (0.49) SIRT5SIRT1SIRT2

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 3 patents. 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
EP-1697337-A2 ORNITHINE DERIVATIVES AS PROSTAGLANDIN-E2-AGONISTS OR ANTAGONISTS Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061475-A2 ORNITHINE DERIVATIVES AS PROSTAGLANDIN E2 AGONISTS OR ANTAGONISTS ASTELLAS PHARMA INC. (JP) 2005-07-07 WO 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 MMP2 3589/4885MMP9 4006/4885FOLH1 2951/4885

“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.