SCHEMBL5656785

SCHEMBL5656785

O=C(O)CCCCCNC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1ccc2cc[nH]c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.64
HDAC1 Q13547 3/20 0.49
HDAC2 Q92769 2/20 0.49
FOLH1 Q04609 2/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
HTT P42858 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
PADI4 Q9UM07 1/20 0.47
PADI2 Q9Y2J8 1/20 0.47
SIRT5 Q9NXA8 1/20 0.46
SIRT2 Q8IXJ6 3/20 0.46

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
SCHEMBL27656055 0.88 PTGER4 (0.73) PTGER4FOLH1HTTCA1CA2
SCHEMBL5657140 0.88 PTGER4 (0.73) PTGER4FOLH1HTTCA1CA2
SCHEMBL5653457 0.85 PTGER4 (0.73) PTGER4FOLH1HTTCA1CA2
SCHEMBL5653366 0.84 PTGER4 (0.69) PTGER4FOLH1HTTCA1CA2
SCHEMBL5653832 0.81 PTGER4 (0.62) PTGER4CA1CA2SIRT2SIRT1
SCHEMBL5656713 0.81 PTGER4 (0.77) PTGER4HDAC1HDAC2FOLH1HDAC3
SCHEMBL5655225 0.81 PTGER4 (0.62) PTGER4FOLH1CA1CA2SIRT2
SCHEMBL5652289 0.79 PTGER4 (0.62) PTGER4HDAC1HDAC2FOLH1HDAC3
SCHEMBL28759869 0.79 PTGER4 (0.62) PTGER4HDAC1HDAC2FOLH1HDAC3
SCHEMBL23574915 0.79 PTGER4 (0.70) PTGER4FOLH1HTTSIRT5SIRT2

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 PTGER4 1/4885HDAC1 1416/4885HDAC2 815/4885

“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.