SCHEMBL17557404

SCHEMBL17557404

CC(C)[C@H](NC(=O)C(Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)CF

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.67
CASP3 P42574 4/20 0.65
CASP7 P55210 2/20 0.65
REN P00797 3/20 0.61
CASP9 P55211 2/20 0.59
CTSB P07858 2/20 0.51
CTSK P43235 2/20 0.51
OPRD1 P41143 1/20 0.49
BACE1 P56817 2/20 0.49
BACE2 Q9Y5Z0 2/20 0.49

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
SCHEMBL17558194 0.93 REN (0.68) CASP1CASP3CASP7RENCASP9
SCHEMBL17577587 0.93 REN (0.68) CASP1CASP3CASP7RENCASP9
SCHEMBL28714059 0.93 REN (0.68) CASP1CASP3CASP7RENCASP9
SCHEMBL2043035 0.92 CASP1 (0.67) CASP1CASP3CASP7RENCASP9
SCHEMBL2034510 0.92 CASP1 (0.67) CASP1CASP3CASP7RENCASP9
SCHEMBL17558196 0.90 CASP1 (0.67) CASP1CASP3CASP7RENCASP9
SCHEMBL3488773 0.90 CASP1 (0.71) CASP1CASP3CASP7RENCASP9
SCHEMBL24213871 0.89 CASP3 (0.56) CASP1CASP3CASP7CASP9
SCHEMBL17494194 0.89 CASP3 (0.56) CASP1CASP3CASP7CASP9
SCHEMBL14646635 0.89 CASP3 (0.56) CASP1CASP3CASP7CASP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035830-B2 Method for treatment of GM1 gangliosidosis KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2018-07-31 US claimed
EP-3012321-A1 HUMAN CELL MODEL OF GM1 GANGLIOSIDOSIS AND USE OF SAME Korea Research Institute of Bioscience and Biotechnology (KR) 2016-04-27 EP claimed
EP-3012321-B1 HUMAN CELL MODEL OF GM1 GANGLIOSIDOSIS AND USE OF SAME KOREA RES INST BIOSCIENCE & BIOTECHNOLOGY (KR) 2019-04-03 EP disclosed
EP-3012321-A1 HUMAN CELL MODEL OF GM1 GANGLIOSIDOSIS AND USE OF SAME Korea Research Institute of Bioscience and Biotechnology (KR) 2016-04-27 EP disclosed
US-20160069865-A1 GM1 GANGLIOSIDOSIS HUMAN CELL MODEL AND USE THEREOF KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2016-03-10 US 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-10035830-B2 Method for treatment of GM1 gangliosidosis GBA1, MAN2B1, GBA2 CASP1 109/4885CASP3 887/4885CASP7 1195/4885

“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.