SCHEMBL20546404

SCHEMBL20546404

NC(CC(=O)O)c1cccc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.56
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
DHODH Q02127 1/20 0.49
HDAC4 P56524 1/20 0.48
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MME P08473 1/20 0.46
KIF11 P52732 1/20 0.45
AGXT P21549 1/20 0.45
CTSA P10619 1/20 0.44

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
SCHEMBL20546403 1.00 FFAR1 (0.56) FFAR1SLC1A3SLC1A2SLC1A1DHODH
SCHEMBL20546159 0.90 SLC1A3 (0.53) FFAR1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL20546158 0.90 SLC1A3 (0.53) FFAR1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL20546132 0.85 KMT2A (0.58) FFAR1KMT2ASMN1; SMN2CTSA
SCHEMBL20546130 0.85 KMT2A (0.58) FFAR1KMT2ASMN1; SMN2CTSA
SCHEMBL20545882 0.85 CTSA (0.57) FFAR1KMT2ASMN1; SMN2MMEAGXT
SCHEMBL20545880 0.85 CTSA (0.57) FFAR1KMT2ASMN1; SMN2MMEAGXT
SCHEMBL382119 0.84 PNMT (0.54) SLC1A3SLC1A2SLC1A1KMT2ASMN1; SMN2
SCHEMBL31295268 0.84 PNMT (0.54) SLC1A3SLC1A2SLC1A1KMT2ASMN1; SMN2
SCHEMBL30412972 0.84 PNMT (0.54) SLC1A3SLC1A2SLC1A1KMT2ASMN1; SMN2

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 4 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
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 FFAR1 37/4885SLC1A3 554/4885SLC1A2 654/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 FFAR1 37/4885SLC1A3 554/4885SLC1A2 654/4885

“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.