SCHEMBL5654500

SCHEMBL5654500

COC(=O)CCc1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1ccccn1)NC(=O)c1cc2ccccc2s1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
PTGER4 P35408 3/20 0.38
HDAC1 Q13547 9/20 0.37
HDAC6 Q9UBN7 4/20 0.37
HDAC4 P56524 5/20 0.37
MEF2D Q14814 2/20 0.37
EP300 Q09472 1/20 0.37
RAB9A P51151 1/20 0.37
MCHR1 Q99705 1/20 0.36
NAMPT P43490 1/20 0.36
STAT6 P42226 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL5669147 0.92 PTGER4 (0.38) TAS1R3TAS1R1PTGER4HDAC1HDAC6
SCHEMBL5669143 0.92 PTGER4 (0.38) TAS1R3TAS1R1PTGER4HDAC1HDAC6
SCHEMBL5654934 0.89 PTGER4 (0.48) TAS1R3TAS1R1PTGER4HDAC1HDAC6
SCHEMBL5653677 0.89 TAS1R3 (0.43) TAS1R3TAS1R1PTGER4HDAC1HDAC6
SCHEMBL5654371 0.88 TAS1R3 (0.42) TAS1R3TAS1R1PTGER4RAB9AMCHR1
SCHEMBL5739747 0.88 PTGER4 (0.42) TAS1R3TAS1R1PTGER4HDAC1HDAC6
SCHEMBL5652300 0.86 PIN1 (0.42) TAS1R3TAS1R1PTGER4HDAC1HDAC6
SCHEMBL5652241 0.83 SIRT5 (0.40) HDAC1HDAC6HDAC4MEF2DEP300
SCHEMBL5655940 0.82 PTGER4 (0.47) TAS1R3TAS1R1PTGER4RAB9AMCHR1
SCHEMBL5651559 0.81 PTGER4 (0.47) TAS1R3TAS1R1PTGER4HDAC1HDAC6

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 TAS1R3 2373/4885TAS1R1 2391/4885PTGER4 1/4885

“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.