SCHEMBL2841200

SCHEMBL2841200

Cc1cc(C(=O)N[C@@H](CCCNC(=O)OCc2ccccc2)C(=O)N[C@H]2CCC[C@H]2C(=O)OCC(=O)c2ccccc2)n(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.40
KLK7 P49862 1/20 0.40
KLK5 Q9Y337 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CASP3 P42574 3/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
CPB1 P15086 1/20 0.38
CPB2 Q96IY4 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 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
SCHEMBL2845439 0.92 KLK7 (0.44) PTGER4KLK7KLK5CA1CA2
SCHEMBL2845514 0.81 CTSS (0.48) PTGER4KLK7KLK5CASP3
SCHEMBL2845533 0.81 CTSS (0.48) PTGER4KLK7KLK5CASP3
Hydrochloric Acid SCHEMBL2843945 0.81 ANPEP (0.47) CASP3DPP4DPP8DPP9DPP7
SCHEMBL2499380 0.81 CA1 (0.40) PTGER4KLK7KLK5CA1CA2
SCHEMBL2841937 0.80 KLK7 (0.44) PTGER4KLK7KLK5CA1CA2
SCHEMBL2843718 0.80 PADI4 (0.41) PTGER4KLK7KLK5CA1CA2
SCHEMBL2845860 0.80 KLKB1 (0.42) PTGER4KLK7KLK5CA1CA2
SCHEMBL2841689 0.80 KLK7 (0.43) PTGER4KLK7KLK5CASP3
SCHEMBL2845857 0.79 MMP2 (0.43) KLK7KLK5CASP3DPP4DPP8

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 PTGER4 1/4885KLK7 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.