SCHEMBL20545835

SCHEMBL20545835

CC(C)(C)[S@@+]([O-])NC(CC(=O)O)c1cccc(-c2ccc(Cl)s2)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.38
HSD17B2 P37059 2/20 0.38
FFAR1 O14842 1/20 0.35
CTSA P10619 9/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
HPGDS O60760 3/20 0.34
NQO2 P16083 1/20 0.34

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
SCHEMBL20545829 0.85 CTSA (0.46) FFAR1CTSA
SCHEMBL20546129 0.84 CTSA (0.42) FFAR1CTSA
SCHEMBL20545785 0.83 FFAR1 (0.45) FFAR1CTSA
SCHEMBL17841456 0.82 CTSA (0.44) FFAR1CTSAITGB3
SCHEMBL17841455 0.82 CTSA (0.44) FFAR1CTSAITGB3
SCHEMBL28373982 0.80 ATM (0.41) HSD17B1HSD17B2FFAR1CTSAITGB3
SCHEMBL20546716 0.78 CTSA (0.38) CTSA
SCHEMBL20546005 0.78 CTSA (0.36) CTSAITGB3
SCHEMBL22691188 0.78 CYP26A1 (0.44) CTSA
SCHEMBL22691183 0.78 CYP26A1 (0.44) CTSA

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 4 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
CN-110914242-B Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2023-07-25 CN 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 HSD17B1 2006/4885HSD17B2 2347/4885FFAR1 37/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 HSD17B1 2006/4885HSD17B2 2347/4885FFAR1 37/4885

“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.