SCHEMBL2845857

SCHEMBL2845857

O=C(NCCC[C@H](NCc1ccc(Cl)cc1)C(=O)N[C@H]1CCC[C@H]1C(=O)OCC(=O)c1ccccc1)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
TMPRSS11D O60235 1/20 0.40
CASP3 P42574 3/20 0.40
KLK7 P49862 1/20 0.40
KLK5 Q9Y337 1/20 0.40
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
CPB1 P15086 2/20 0.39
CPB2 Q96IY4 1/20 0.39
FOLH1 Q04609 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38

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
SCHEMBL2844434 0.90 MMP2 (0.48) MMP2MMP9CASP3KLK7KLK5
Hydrochloric Acid SCHEMBL2843945 0.84 ANPEP (0.47) CASP3DPP4DPP8DPP9DPP7
SCHEMBL2840948 0.82 KLK7 (0.38) CASP3KLK7KLK5DPP4DPP8
SCHEMBL2841200 0.79 PTGER4 (0.40) CASP3KLK7KLK5DPP4DPP8
SCHEMBL2843551 0.78 PTGER4 (0.46) CASP3KLK7KLK5
SCHEMBL2843718 0.78 PADI4 (0.41) CASP3KLK7KLK5DPP4DPP8
SCHEMBL2499380 0.77 CA1 (0.40) CASP3KLK7KLK5DPP4DPP8
SCHEMBL3622112 0.76 PSMB5 (0.46) CASP3KLK7KLK5CPB1CPB2
Hydrochloric Acid SCHEMBL2849314 0.76 PSMB5 (0.45) CASP3KLK7KLK5CPB1CPB2
SCHEMBL2844570 0.76 ANPEP (0.53) CASP3DPP4DPP8DPP9DPP7

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 MMP2 1245/4885MMP9 3222/4885TMPRSS11D 1354/4885

“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.