SCHEMBL20546012

SCHEMBL20546012

CC(C)(C)[S@@+]([O-])NC(CC(=O)O)c1cncc(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSA P10619 13/20 0.47
CTSL P07711 1/20 0.43
CTSK P43235 1/20 0.43
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
F11 P03951 1/20 0.40
SUCNR1 Q9BXA5 2/20 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
SCHEMBL30671498 0.87 CTSL (0.39) CTSACTSLCTSKITGB3ITGA2B
SCHEMBL30541441 0.87 CTSL (0.39) CTSACTSLCTSKITGB3ITGA2B
SCHEMBL22837967 0.87 CTSL (0.39) CTSACTSLCTSKITGB3ITGA2B
SCHEMBL29219865 0.87 CTSL (0.39) CTSACTSLCTSKITGB3ITGA2B
SCHEMBL20546340 0.82 CASP3 (0.41) ITGB3ITGA2B
SCHEMBL20546099 0.80 EEF2K (0.42) CTSA
SCHEMBL21271476 0.79 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL28372690 0.78 CTSA (0.47) CTSACTSLCTSKITGB3ITGA2B
SCHEMBL28238011 0.78 EEF2K (0.40) CTSAITGB3ITGA2B
SCHEMBL20545829 0.77 CTSA (0.46) CTSASUCNR1

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
EP-3615514-B1 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS INC (US) 2023-11-22 EP disclosed
US-10875875-B2 Propionic acid derivatives and methods of use thereof AVIARA PHARMACEUTICALS, INC. (US) 2020-12-29 US disclosed
EP-3615514-A2 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF Aviara Pharmaceuticals, Inc. (US) 2020-03-04 EP disclosed
US-20180312523-A1 Propionic Acid Derivatives and Methods of Use Thereof AVIARA PHARMACEUTICALS, INC. (US) 2018-11-01 US disclosed
WO-2018201167-A2 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS, INC. (US) 2018-11-01 WO 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 (2 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-20180312523-A1 Propionic Acid Derivatives and Methods of Use Thereof ITGB3, ITGA1, ITGB5 CTSA 2240/4885CTSL 2956/4885CTSK 3987/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 CTSA 2240/4885CTSL 2956/4885CTSK 3987/4885

“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.