SCHEMBL20546334

SCHEMBL20546334

Cc1ccc([S@@+]([O-])NC(CC(=O)O)c2ccc(-c3c(C)cccc3C)s2)cc1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.36
CTSA P10619 5/20 0.35
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL20546501 0.83 FFAR1 (0.31) FFAR1CTSA
SCHEMBL20546613 0.83 CTSA (0.41) CTSA
SCHEMBL20545539 0.81 CTSA (0.36) FFAR1CTSAATML3MBTL1
SCHEMBL20545943 0.79 CTSA (0.42) FFAR1CTSA
SCHEMBL20546201 0.79 CTSA (0.41) CTSA
SCHEMBL20546589 0.73 MMP12 (0.39) FFAR1CTSAATML3MBTL1
SCHEMBL30671429 0.73 TRPM8 (0.39) CTSA
SCHEMBL20545925 0.72 FFAR1 (0.46) FFAR1
SCHEMBL20545927 0.72 FFAR1 (0.46) FFAR1
SCHEMBL20546110 0.71 ATM (0.39) FFAR1CTSAATML3MBTL1

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 FFAR1 37/4885CTSA 2240/4885ATM 4354/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 FFAR1 37/4885CTSA 2240/4885ATM 4354/4885

“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.