SCHEMBL20546392

SCHEMBL20546392

COc1cccc(-c2ccc(C(CC(=O)O)N[S@+]([O-])C(C)(C)C)s2)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HSD17B2 P37059 6/20 0.43
HSD17B1 P14061 3/20 0.41
PTPN1 P18031 1/20 0.41
CNR1 P21554 1/20 0.40
CTSA P10619 6/20 0.40
MME P08473 1/20 0.39
IKBKB O14920 1/20 0.39

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
SCHEMBL20545835 0.78 HSD17B1 (0.38) FFAR1HSD17B2HSD17B1CTSA
SCHEMBL20546431 0.77 FFAR1 (0.51) FFAR1HDAC6HSD17B2HSD17B1PTPN1
SCHEMBL20546435 0.77 FFAR1 (0.51) FFAR1HDAC6HSD17B2HSD17B1PTPN1
SCHEMBL20545943 0.75 CTSA (0.42) FFAR1HDAC6CTSAMME
SCHEMBL20545881 0.75 CTSA (0.37) HSD17B2HSD17B1CNR1CTSA
SCHEMBL20545785 0.73 FFAR1 (0.45) FFAR1CTSA
SCHEMBL20546937 0.72 ALOX5 (0.45) FFAR1HSD17B2
SCHEMBL29113436 0.72 ALOX5 (0.45) FFAR1HSD17B2
SCHEMBL29219810 0.72 ALDH1A1 (0.42) HDAC6HSD17B2HSD17B1PTPN1CNR1
SCHEMBL28368119 0.72 HSD17B2 (0.42) FFAR1HDAC6HSD17B2HSD17B1PTPN1

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 37/4885HDAC6 317/4885HSD17B2 2347/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 FFAR1 37/4885HDAC6 317/4885HSD17B2 2347/4885

“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.