SCHEMBL20546255

SCHEMBL20546255

N[C@@H](CC(=O)O)c1ccc(-c2cccc(Cl)c2)s1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.48
C3AR1 Q16581 1/20 0.44
CNR1 P21554 1/20 0.43
CTSA P10619 2/20 0.43
IKBKB O14920 1/20 0.41
ALOX5 P09917 1/20 0.41
HSD17B1 P14061 2/20 0.41
HSD17B2 P37059 2/20 0.41
ESR1 P03372 2/20 0.41
ESRRG P62508 2/20 0.41
ESR2 Q92731 1/20 0.41
MMEL1 Q495T6 4/20 0.40
MME P08473 1/20 0.40
KIF11 P52732 1/20 0.40
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 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
SCHEMBL20546257 1.00 FFAR1 (0.48) FFAR1C3AR1CNR1CTSAIKBKB
SCHEMBL20546458 0.87 FFAR1 (0.59) FFAR1ALOX5GABBR2GABBR1
SCHEMBL20546457 0.87 FFAR1 (0.59) FFAR1ALOX5GABBR2GABBR1
SCHEMBL20545900 0.84 FFAR1 (0.48) FFAR1CNR1CTSAALOX5HSD17B1
SCHEMBL20545904 0.84 FFAR1 (0.48) FFAR1CNR1CTSAALOX5HSD17B1
SCHEMBL30541239 0.83 TRPM8 (0.47) FFAR1C3AR1CNR1ALOX5HSD17B1
SCHEMBL28375348 0.83 TRPM8 (0.47) FFAR1C3AR1CNR1ALOX5HSD17B1
SCHEMBL20546431 0.81 FFAR1 (0.51) FFAR1CNR1CTSAIKBKBHSD17B1
SCHEMBL20546435 0.81 FFAR1 (0.51) FFAR1CNR1CTSAIKBKBHSD17B1
SCHEMBL20546314 0.79 CTSA (0.48) FFAR1CTSAMMEL1MME

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 5 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
EP-3615514-A2 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF Aviara Pharmaceuticals, Inc. (US) 2020-03-04 EP disclosed
US-20180312523-A1 Propionic Acid Derivatives and Methods of Use Thereof AVIARA PHARMACEUTICALS, INC. (US) 2018-11-01 US disclosed
WO-2018201167-A2 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS, INC. (US) 2018-11-01 WO 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 37/4885C3AR1 19/4885CNR1 456/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 FFAR1 37/4885C3AR1 19/4885CNR1 456/4885

“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.