SCHEMBL20545829

SCHEMBL20545829

CC(C)(C)[S@@+]([O-])NC(CC(=O)O)c1cccc(-c2cccc(Cl)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSA P10619 7/20 0.46
FFAR1 O14842 1/20 0.46
MMEL1 Q495T6 3/20 0.40
MME P08473 1/20 0.40
SUCNR1 Q9BXA5 2/20 0.39
DCAF1 Q9Y4B6 3/20 0.39
OGT O15294 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL17841455 0.93 CTSA (0.44) CTSAFFAR1DCAF1OGTALDH1A1
SCHEMBL17841456 0.93 CTSA (0.44) CTSAFFAR1DCAF1OGTALDH1A1
SCHEMBL20546129 0.88 CTSA (0.42) CTSAFFAR1SUCNR1
SCHEMBL30671391 0.86 MAPT (0.43) CTSAFFAR1MMEL1MMEDCAF1
SCHEMBL20545835 0.85 HSD17B1 (0.38) CTSAFFAR1
SCHEMBL20546005 0.84 CTSA (0.36) CTSA
SCHEMBL20545785 0.82 FFAR1 (0.45) CTSAFFAR1
SCHEMBL24036979 0.81 WDR5 (0.43) DCAF1ALDH1A1HPGD
SCHEMBL25753673 0.81 WDR5 (0.43) DCAF1ALDH1A1HPGD
SCHEMBL22691186 0.81 CYP26A1 (0.44) CTSAALDH1A1

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 3 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
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 2240/4885FFAR1 37/4885MMEL1 3524/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 CTSA 2240/4885FFAR1 37/4885MMEL1 3524/4885

“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.