SCHEMBL20545951

SCHEMBL20545951

Cc1cscc1-c1ccc(C(N)CC(=O)O)s1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.39
CYP2A6 P11509 3/20 0.36
CYP2B6 P20813 3/20 0.36
GRM2 Q14416 1/20 0.35
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
HPGD P15428 1/20 0.33
ALOX5 P09917 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP2E1 P05181 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MPI P34949 1/20 0.30
KMT2A Q03164 1/20 0.30
S1PR2 O95136 1/20 0.30
S1PR1 P21453 1/20 0.30

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
SCHEMBL20545950 1.00 FFAR1 (0.39) FFAR1CYP2A6CYP2B6GRM2GABBR2
SCHEMBL30541228 0.86 ALDH1A1 (0.37) GRM2HPGDMEN1ALDH1A1MPI
SCHEMBL20545927 0.80 FFAR1 (0.46) FFAR1GABBR2GABBR1ALOX5
SCHEMBL20545925 0.80 FFAR1 (0.46) FFAR1GABBR2GABBR1ALOX5
SCHEMBL1520622 0.76 ALOX5 (0.46) FFAR1GABBR2GABBR1HPGDALOX5
SCHEMBL20546458 0.75 FFAR1 (0.59) FFAR1CYP2A6CYP2B6GABBR2GABBR1
SCHEMBL20546457 0.75 FFAR1 (0.59) FFAR1CYP2A6CYP2B6GABBR2GABBR1
SCHEMBL20546161 0.73 HSD17B1 (0.43) FFAR1HPGDMEN1ALDH1A1KMT2A
SCHEMBL20545985 0.73 CTSA (0.41) FFAR1GABBR2GABBR1
SCHEMBL20546163 0.73 HSD17B1 (0.43) FFAR1HPGDMEN1ALDH1A1KMT2A

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 37/4885CYP2A6 1561/4885CYP2B6 1427/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 FFAR1 37/4885CYP2A6 1561/4885CYP2B6 1427/4885

“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.