SCHEMBL20546167

SCHEMBL20546167

NC(CC(=O)O)c1cccc(-c2ccccc2OC(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSA P10619 7/20 0.63
FFAR1 O14842 2/20 0.49
SCN9A Q15858 8/20 0.48
CYP2C9 P11712 2/20 0.47
MME P08473 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL20546164 1.00 CTSA (0.63) CTSAFFAR1SCN9ACYP2C9MME
SCHEMBL28372790 0.85 CTSA (0.55) CTSASCN9ACYP2C9CYP3A4CYP2D6
SCHEMBL30541445 0.85 CTSA (0.55) CTSASCN9ACYP2C9CYP3A4CYP2D6
SCHEMBL20545832 0.85 CTSA (0.47) CTSAFFAR1MMEFFAR4KMT2A
SCHEMBL20545834 0.85 CTSA (0.47) CTSAFFAR1MMEFFAR4KMT2A
SCHEMBL20546324 0.84 CTSA (0.61) CTSAKMT2ASMN1; SMN2
SCHEMBL20546326 0.84 CTSA (0.61) CTSAKMT2ASMN1; SMN2
SCHEMBL20546029 0.81 CTSA (0.61) CTSAFFAR1MMEFFAR4KMT2A
SCHEMBL20546219 0.81 CTSA (0.48) CTSAFFAR1SCN9AMMEFFAR4
SCHEMBL20546028 0.81 CTSA (0.61) CTSAFFAR1MMEFFAR4KMT2A

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 3 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
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 CTSA 2240/4885FFAR1 37/4885SCN9A 250/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 CTSA 2240/4885FFAR1 37/4885SCN9A 250/4885

“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.