SCHEMBL2845852

SCHEMBL2845852

Cn1ccc2cccc(CN[C@@H](CCCNC(=O)OCc3ccccc3)C(=O)N[C@H]3CCC[C@H]3C(=O)O)c21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.40
KLK5 Q9Y337 1/20 0.40
CASP3 P42574 3/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
PTGER4 P35408 1/20 0.38
FOLH1 Q04609 2/20 0.38
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
CPB1 P15086 2/20 0.37
ACE P12821 1/20 0.37
CPB2 Q96IY4 1/20 0.37

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
Oxalic Acid SCHEMBL2846620 0.99 KLK7 (0.39) KLK7KLK5CASP3KEAP1NFE2L2
SCHEMBL2840948 0.91 KLK7 (0.38) KLK7KLK5CASP3KEAP1NFE2L2
SCHEMBL2848263 0.87 KLK7 (0.44) KLK7KLK5CASP3PTGER4
Hydrochloric Acid SCHEMBL2846241 0.84 HDAC1 (0.43) KLK7KLK5CASP3PTGER4FOLH1
SCHEMBL3622112 0.80 PSMB5 (0.46) KLK7KLK5CASP3FOLH1CPB1
SCHEMBL2844434 0.80 MMP2 (0.48) KLK7KLK5CASP3FOLH1DPP4
Hydrochloric Acid SCHEMBL2849314 0.80 PSMB5 (0.45) KLK7KLK5CASP3FOLH1CPB1
SCHEMBL2845511 0.80 KLK7 (0.44) KLK7KLK5CASP3PTGER4
SCHEMBL2849323 0.79 CA1 (0.43) KLK7KLK5CASP3PTGER4
SCHEMBL2840270 0.77 CTSB (0.42) KLK7KLK5CASP3PTGER4FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1391/4885CASP3 3838/4885

“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.