SCHEMBL2842850

SCHEMBL2842850

CN(C)c1cccc(C(=O)N[C@@H](CCCNC(=O)OCc2ccccc2)C(=O)N[C@H]2CCC[C@H]2C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.44
KLK5 Q9Y337 1/20 0.44
PTGER4 P35408 5/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CASP3 P42574 3/20 0.43
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PADI6 Q6TGC4 1/20 0.40
PADI4 Q9UM07 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
SCHEMBL2849324 0.90 PTGER4 (0.47) KLK7KLK5PTGER4CA1CA2
SCHEMBL2843551 0.88 PTGER4 (0.46) KLK7KLK5PTGER4CA1CA2
SCHEMBL3625983 0.87 KLK7 (0.45) KLK7KLK5PTGER4CA1CA2
SCHEMBL2845471 0.85 KDM1A (0.44) KLK7KLK5PTGER4CA1CA2
SCHEMBL2849323 0.82 CA1 (0.43) KLK7KLK5PTGER4CA1CA2
SCHEMBL2848265 0.81 KLK5 (0.64) KLK7KLK5CASP3
SCHEMBL2841937 0.80 KLK7 (0.44) KLK7KLK5PTGER4CA1CA2
SCHEMBL2845439 0.80 KLK7 (0.44) KLK7KLK5PTGER4CA1CA2
SCHEMBL2839161 0.80 KLK7 (0.42) KLK7KLK5PTGER4CA1CA2
SCHEMBL2845514 0.80 CTSS (0.48) KLK7KLK5PTGER4CASP3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216803-A1 ORNITHINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-08-26 US claimed
EP-2141147-A1 ORNITHINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-01-06 EP claimed
US-20100216803-A1 ORNITHINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-08-26 US disclosed
EP-2141147-A1 ORNITHINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-01-06 EP 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-20100216803-A1 ORNITHINE DERIVATIVE PTGER4, OXER1, ODC1 KLK7 2470/4885KLK5 1391/4885PTGER4 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.