SCHEMBL20545539

SCHEMBL20545539

Cc1ccc([S@@+]([O-])NC(CC(=O)O)c2cc(-c3c(C)cccc3C)cs2)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSA P10619 8/20 0.36
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FFAR1 O14842 9/20 0.35
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
CASP1 P29466 1/20 0.32

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
SCHEMBL20546589 0.89 MMP12 (0.39) CTSAATML3MBTL1FFAR1MMP3
SCHEMBL20546203 0.85 CTSA (0.41) CTSAFFAR1
SCHEMBL20545918 0.84 CTSA (0.44) CTSAFFAR1
SCHEMBL20546334 0.81 FFAR1 (0.36) CTSAATML3MBTL1FFAR1
SCHEMBL20545538 0.81 CTSA (0.41) CTSAFFAR1
SCHEMBL20546605 0.80 MMP12 (0.38) CTSAATML3MBTL1FFAR1MMP3
SCHEMBL29219665 0.79 MMP12 (0.41) L3MBTL1MMP12MMP13
SCHEMBL30671305 0.79 MMP12 (0.41) L3MBTL1MMP12MMP13
SCHEMBL30541468 0.79 MMP12 (0.41) L3MBTL1MMP12MMP13
SCHEMBL30671440 0.75 MAPT (0.39) CTSAL3MBTL1

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 2240/4885ATM 4354/4885L3MBTL1 3530/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 CTSA 2240/4885ATM 4354/4885L3MBTL1 3530/4885

“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.