SCHEMBL20545943

SCHEMBL20545943

Cc1ccc([S@@+]([O-])NC(CC(=O)O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSA P10619 9/20 0.42
MME P08473 1/20 0.40
STK17B O94768 1/20 0.38
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
FFAR1 O14842 1/20 0.37
MMP12 P39900 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
ITGB5 P18084 1/20 0.36
ITGB6 P18564 1/20 0.36
PPARD Q03181 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SLC13A5 Q86YT5 1/20 0.35

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
SCHEMBL29219655 0.91 POLB (0.37) CTSAMMESTK17BERCC5FEN1
SCHEMBL20546334 0.79 FFAR1 (0.36) CTSAFFAR1
SCHEMBL30671429 0.77 TRPM8 (0.39) CTSA
SCHEMBL29219680 0.76 CTSA (0.42) CTSAMMEMMP12
SCHEMBL20546304 0.76 CTSA (0.42) CTSAMMEMMP12
SCHEMBL20545918 0.76 CTSA (0.44) CTSAMMEFFAR1
SCHEMBL20546201 0.75 CTSA (0.41) CTSA
SCHEMBL20546392 0.75 FFAR1 (0.43) CTSAMMEFFAR1HDAC6
SCHEMBL20546050 0.75 CTSA (0.49) CTSAMMESTK17BERCC5FEN1
SCHEMBL20546053 0.75 CTSA (0.49) CTSAMMESTK17BERCC5FEN1

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-10875875-B2 Propionic acid derivatives and methods of use thereof AVIARA PHARMACEUTICALS, INC. (US) 2020-12-29 US disclosed
US-20180312523-A1 Propionic Acid Derivatives and Methods of Use Thereof AVIARA PHARMACEUTICALS, INC. (US) 2018-11-01 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 (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 2240/4885MME 3180/4885STK17B 3079/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 CTSA 2240/4885MME 3180/4885STK17B 3079/4885

“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.