SCHEMBL20545993

SCHEMBL20545993

NC(CC(=O)O)c1cccc(-c2cccc(F)c2F)c1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSA P10619 17/20 0.49
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL20545992 1.00 CTSA (0.49) CTSAKMT2ASMN1; SMN2
SCHEMBL20545626 0.90 CTSA (0.57) CTSAKMT2ASMN1; SMN2
SCHEMBL20545622 0.90 CTSA (0.57) CTSAKMT2ASMN1; SMN2
SCHEMBL20545404 0.85 KMT2A (0.49) CTSAKMT2ASMN1; SMN2
SCHEMBL20545405 0.85 KMT2A (0.49) CTSAKMT2ASMN1; SMN2
SCHEMBL20546152 0.84 CTSA (0.63) CTSA
SCHEMBL30541261 0.83 CTSA (0.41) CTSA
SCHEMBL28375224 0.83 CTSA (0.41) CTSA
SCHEMBL20546441 0.83 CTSA (0.47) CTSAKMT2ASMN1; SMN2
SCHEMBL20546439 0.83 CTSA (0.47) CTSAKMT2ASMN1; 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 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 2240/4885KMT2A 4455/4885SMN1; SMN2 2021/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 CTSA 2240/4885KMT2A 4455/4885SMN1; SMN2 2021/4885

“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.