SCHEMBL5652870

SCHEMBL5652870

COC(=O)CCCCCNC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.60
NMBR P28336 2/20 0.56
SIRT2 Q8IXJ6 1/20 0.56
SIRT1 Q96EB6 1/20 0.56
SIRT3 Q9NTG7 1/20 0.56
SIRT5 Q9NXA8 1/20 0.54
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
PTGER4 P35408 3/20 0.51
CASP1 P29466 1/20 0.51
CA2 P00918 1/20 0.49
HDAC3 O15379 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC2 Q92769 3/20 0.48
NCOR2 Q9Y618 3/20 0.48

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
SCHEMBL5655249 0.93 BMP1 (0.61) BMP1NMBRSIRT2SIRT1SIRT3
SCHEMBL5654676 0.93 BMP1 (0.62) BMP1NMBRSIRT2SIRT1SIRT3
SCHEMBL5652214 0.86 BMP1 (0.64) BMP1NMBRSIRT2SIRT1SIRT3
SCHEMBL28763201 0.83 BMP1 (0.54) BMP1NMBRSIRT2SIRT1SIRT3
SCHEMBL12672467 0.81 BMP1 (0.87) BMP1NMBRMAPTLMNAMMP9
SCHEMBL28759869 0.80 PTGER4 (0.62) BMP1NMBRSIRT2SIRT1SIRT3
SCHEMBL5652289 0.80 PTGER4 (0.62) BMP1NMBRSIRT2SIRT1SIRT3
SCHEMBL5653166 0.80 PTGER4 (0.62) SIRT2SIRT1SIRT3PTGER4CA2
SCHEMBL5653698 0.80 PTGER4 (0.55) SIRT2SIRT1SIRT3PTGER4
SCHEMBL5654338 0.79 PTGER4 (0.56) SIRT2SIRT1SIRT3PTGER4

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 BMP1 2769/4885NMBR 846/4885SIRT2 784/4885

“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.