SCHEMBL5652835

SCHEMBL5652835

CCOC(=O)CCCc1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.47
SIRT2 Q8IXJ6 5/20 0.46
SIRT1 Q96EB6 4/20 0.46
SIRT5 Q9NXA8 1/20 0.42
HDAC6 Q9UBN7 2/20 0.41
KLKB1 P03952 1/20 0.41
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 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
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 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
SCHEMBL5652220 0.92 PTGER4 (0.55) PTGER4SIRT5HDAC6TAS1R3TAS1R1
SCHEMBL5654934 0.91 PTGER4 (0.48) PTGER4SIRT2SIRT1SIRT5HDAC6
SCHEMBL5654575 0.87 PTGER4 (0.48) PTGER4SIRT5KLKB1TAS1R3TAS1R1
SCHEMBL5652300 0.86 PIN1 (0.42) PTGER4SIRT2SIRT1SIRT5HDAC6
SCHEMBL5655940 0.85 PTGER4 (0.47) PTGER4SIRT5KLKB1TAS1R3TAS1R1
SCHEMBL5739747 0.84 PTGER4 (0.42) PTGER4SIRT5HDAC6TAS1R3TAS1R1
SCHEMBL5652891 0.84 PTGER4 (0.48) PTGER4SIRT5KLKB1TAS1R3TAS1R1
SCHEMBL5653677 0.84 TAS1R3 (0.43) PTGER4HDAC6TAS1R3TAS1R1BCHE
SCHEMBL5653738 0.84 CTSS (0.47) PTGER4SIRT2SIRT1SIRT5BCHE
SCHEMBL5651559 0.84 PTGER4 (0.47) PTGER4SIRT5HDAC6TAS1R3TAS1R1

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 1/4885SIRT2 784/4885SIRT1 949/4885

“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.