SCHEMBL20546458

SCHEMBL20546458

NC(CC(=O)O)c1ccc(-c2ccccc2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.59
ALOX5 P09917 1/20 0.51
RAB9A P51151 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
HPGDS O60760 1/20 0.43
HDAC1 Q13547 1/20 0.42
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
NQO2 P16083 2/20 0.41
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL20546457 1.00 FFAR1 (0.59) FFAR1ALOX5RAB9AKMT2AMEN1
SCHEMBL20546257 0.87 FFAR1 (0.48) FFAR1ALOX5GABBR2GABBR1
SCHEMBL20546255 0.87 FFAR1 (0.48) FFAR1ALOX5GABBR2GABBR1
SCHEMBL20545900 0.87 FFAR1 (0.48) FFAR1ALOX5KDM4ESMN1; SMN2WRN
SCHEMBL20545904 0.87 FFAR1 (0.48) FFAR1ALOX5KDM4ESMN1; SMN2WRN
SCHEMBL20546435 0.84 FFAR1 (0.51) FFAR1HDAC6
SCHEMBL20546431 0.84 FFAR1 (0.51) FFAR1HDAC6
SCHEMBL20545925 0.83 FFAR1 (0.46) FFAR1ALOX5GABBR2GABBR1
SCHEMBL20545927 0.83 FFAR1 (0.46) FFAR1ALOX5GABBR2GABBR1
SCHEMBL20546053 0.82 CTSA (0.49) FFAR1ERCC5FEN1HDAC6

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 37/4885ALOX5 889/4885RAB9A 1097/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 FFAR1 37/4885ALOX5 889/4885RAB9A 1097/4885

“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.