SCHEMBL5653677

SCHEMBL5653677

COC(=O)CCc1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1ccccc1C)NC(=O)c1cc2ccccc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
PTGER4 P35408 5/20 0.41
RAB9A P51151 1/20 0.39
CTSK P43235 4/20 0.38
MCHR1 Q99705 1/20 0.38
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
OPRM1 P35372 1/20 0.36
NAMPT P43490 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
PIN1 Q13526 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35

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
SCHEMBL5655940 0.93 PTGER4 (0.47) TAS1R3TAS1R1PTGER4RAB9ACTSK
SCHEMBL5654371 0.92 TAS1R3 (0.42) TAS1R3TAS1R1PTGER4RAB9ACTSK
SCHEMBL5654934 0.92 PTGER4 (0.48) TAS1R3TAS1R1PTGER4HDAC3HDAC4
SCHEMBL5652300 0.90 PIN1 (0.42) TAS1R3TAS1R1PTGER4RAB9AMCHR1
SCHEMBL5739747 0.90 PTGER4 (0.42) TAS1R3TAS1R1PTGER4RAB9ACTSK
SCHEMBL5654500 0.89 TAS1R3 (0.41) TAS1R3TAS1R1PTGER4RAB9AMCHR1
SCHEMBL5652835 0.84 PTGER4 (0.47) TAS1R3TAS1R1PTGER4BCHEACHE
SCHEMBL5654575 0.84 PTGER4 (0.48) TAS1R3TAS1R1PTGER4PIN1HDAC1
SCHEMBL5655216 0.83 HDAC1 (0.40) PTGER4CTSSHDAC3HDAC1HDAC2
SCHEMBL5651559 0.83 PTGER4 (0.47) TAS1R3TAS1R1PTGER4MCHR1HDAC3

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 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.