SCHEMBL5651572

SCHEMBL5651572

NCCC[C@H](NC(=O)c1cc2ccccc2o1)C(=O)Nc1ccccc1CCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.51
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PIN1 Q13526 1/20 0.45
TAS1R3 Q7RTX0 3/20 0.44
TAS1R1 Q7RTX1 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MCHR1 Q99705 1/20 0.44
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
TP53 P04637 4/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL5653761 0.85 PTGER4 (0.74) PTGER4NPC1RAB9AMEN1KMT2A
SCHEMBL5654468 0.82 PTGER4 (0.64) PTGER4NPC1RAB9AMEN1KMT2A
SCHEMBL5653989 0.78 PTGER4 (0.67) PTGER4TAS1R3TAS1R1HDAC1MAOB
SCHEMBL5655190 0.75 CTSK (0.48) HDAC3HDAC1TP53
SCHEMBL5656112 0.75 PTGER4 (0.56) PTGER4NPC1RAB9AMEN1KMT2A
SCHEMBL5655355 0.73 PTGER4 (0.80) PTGER4ALDH1A1MCHR1HDAC3HDAC1
SCHEMBL5656808 0.71 PTGER4 (0.76) PTGER4PIN1MCHR1HDAC3HDAC1
SCHEMBL5653199 0.71 PTGER4 (0.52) PTGER4NPC1RAB9AMEN1KMT2A
SCHEMBL27676034 0.70 CTSK (0.48) HDAC3HDAC1TP53
SCHEMBL27676035 0.70 CTSK (0.48) HDAC3HDAC1TP53

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 PTGER4 1/4885NPC1 3325/4885RAB9A 4599/4885

“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.