SCHEMBL5653495

SCHEMBL5653495

O=C(O)CCCCCNC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 11/20 0.74
MMP2 P08253 10/20 0.74
MMP1 P03956 4/20 0.68
MMP13 P45452 4/20 0.68
MMP3 P08254 3/20 0.68
MMP7 P09237 3/20 0.68
MMP14 P50281 4/20 0.59
ADAM10 O14672 3/20 0.59
ADAM17 P78536 3/20 0.59
PTGER4 P35408 3/20 0.58
HTT P42858 1/20 0.55
FOLH1 Q04609 2/20 0.53
MMP8 P22894 3/20 0.49
MMP12 P39900 2/20 0.49
SIRT5 Q9NXA8 1/20 0.49
ADAMTS4 O75173 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49

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
SCHEMBL5653366 0.83 PTGER4 (0.69) MMP9MMP2PTGER4HTTFOLH1
SCHEMBL23574915 0.80 PTGER4 (0.70) PTGER4HTTFOLH1SIRT5
SCHEMBL22750161 0.80 PTGER4 (0.70) PTGER4HTTFOLH1SIRT5
SCHEMBL6122901 0.80 MMP2 (0.90) MMP9MMP2MMP1MMP13MMP3
SCHEMBL5653457 0.80 PTGER4 (0.73) PTGER4HTTFOLH1SIRT5CA1
SCHEMBL5656638 0.79 MMP2 (0.56) MMP9MMP2MMP1MMP13MMP3
SCHEMBL15238617 0.78 MMP2 (0.76) MMP9MMP2MMP1MMP13MMP3
SCHEMBL2876850 0.78 HTT (0.88) PTGER4HTTFOLH1
SCHEMBL4858734 0.78 HTT (0.88) PTGER4HTTFOLH1
SCHEMBL4857273 0.78 HTT (0.88) PTGER4HTTFOLH1

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 MMP9 4006/4885MMP2 3589/4885MMP1 4205/4885

“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.