SCHEMBL2845860

SCHEMBL2845860

COc1ccc(COC(=O)[C@@H]2CCC[C@@H]2NC(=O)[C@H](CCCNC(=O)OCc2ccccc2)NC(=O)c2cc(C)nn2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.42
KLK7 P49862 1/20 0.41
KLK5 Q9Y337 1/20 0.41
STING1 Q86WV6 5/20 0.41
PTGER4 P35408 4/20 0.40
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
IRF3 Q14653 1/20 0.39
CASP3 P42574 1/20 0.38
F10 P00742 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
SCHEMBL2841689 0.91 KLK7 (0.43) KLKB1KLK7KLK5PTGER4ALDH1A1
SCHEMBL2840917 0.83 KLK5 (0.59) KLK7KLK5DPP4DPP8DPP9
SCHEMBL2848239 0.81 DPP8 (0.49) DPP4DPP8DPP9DPP7CASP3
SCHEMBL2845439 0.81 KLK7 (0.44) KLK7KLK5PTGER4CA1CA2
SCHEMBL2841200 0.80 PTGER4 (0.40) KLK7KLK5PTGER4DPP4DPP8
SCHEMBL2841937 0.79 KLK7 (0.44) KLK7KLK5PTGER4CA1CA2
SCHEMBL2841932 0.78 KLK7 (0.45) KLK7KLK5PTGER4CA1CA2
Hydrochloric Acid SCHEMBL2845461 0.77 KLK7 (0.44) KLK7KLK5PTGER4CA1CA2
SCHEMBL2845514 0.77 CTSS (0.48) KLK7KLK5PTGER4CASP3
SCHEMBL2845533 0.77 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 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 KLKB1 2107/4885KLK7 2470/4885KLK5 1391/4885

“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.