SCHEMBL20545904

SCHEMBL20545904

NC(CC(=O)O)c1ccc(-c2cccc(F)c2)s1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.48
HSD17B2 P37059 3/20 0.48
HSD17B1 P14061 2/20 0.48
WRN Q14191 1/20 0.46
ESRRG P62508 5/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
STK17B O94768 1/20 0.41
ALOX5 P09917 1/20 0.41
ESR1 P03372 2/20 0.41
CNR1 P21554 1/20 0.41
ESR2 Q92731 1/20 0.41
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MME P08473 1/20 0.40
MMEL1 Q495T6 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
CTSA P10619 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
SCHEMBL20545900 1.00 FFAR1 (0.48) FFAR1HSD17B2HSD17B1WRNESRRG
SCHEMBL20546457 0.87 FFAR1 (0.59) FFAR1WRNALOX5KDM4ESMN1; SMN2
SCHEMBL20546458 0.87 FFAR1 (0.59) FFAR1WRNALOX5KDM4ESMN1; SMN2
SCHEMBL20546257 0.84 FFAR1 (0.48) FFAR1HSD17B2HSD17B1ESRRGALOX5
SCHEMBL20546255 0.84 FFAR1 (0.48) FFAR1HSD17B2HSD17B1ESRRGALOX5
SCHEMBL30671470 0.83 TRPM8 (0.47) FFAR1HSD17B2HSD17B1WRNESRRG
SCHEMBL20546050 0.82 CTSA (0.49) FFAR1STK17BPTGDR2MMECTSA
SCHEMBL20546053 0.82 CTSA (0.49) FFAR1STK17BPTGDR2MMECTSA
SCHEMBL20546435 0.81 FFAR1 (0.51) FFAR1HSD17B2HSD17B1CNR1MME
SCHEMBL20546431 0.81 FFAR1 (0.51) FFAR1HSD17B2HSD17B1CNR1MME

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 7 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
CN-110914242-A Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2020-03-24 CN 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 37/4885HSD17B2 2347/4885HSD17B1 2006/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 FFAR1 37/4885HSD17B2 2347/4885HSD17B1 2006/4885

“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.