SCHEMBL20545890

SCHEMBL20545890

COc1ccc(C(N)CC(=O)O)cc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSA P10619 16/20 0.50
TNF P01375 1/20 0.48
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TPH1 P17752 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
SCHEMBL20545888 1.00 CTSA (0.50) CTSATNFKMT2ASMN1; SMN2TPH1
SCHEMBL20546211 0.89 CTSA (0.53) CTSAKMT2ASMN1; SMN2
SCHEMBL20546209 0.89 CTSA (0.53) CTSAKMT2ASMN1; SMN2
SCHEMBL20546339 0.88 CTSA (0.53) CTSA
SCHEMBL20546336 0.88 CTSA (0.53) CTSA
SCHEMBL30541542 0.86 CTSA (0.43) CTSASMN1; SMN2TPH1
SCHEMBL28372548 0.86 CTSA (0.43) CTSASMN1; SMN2TPH1
SCHEMBL8967142 0.86 CASR (0.45) CTSATPH1
SCHEMBL21459386 0.86 AKR1C3 (0.49) CTSATNFKMT2ASMN1; SMN2
SCHEMBL7227941 0.85 MME (0.53) CTSATNF

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 2240/4885TNF 3380/4885KMT2A 4455/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 CTSA 2240/4885TNF 3380/4885KMT2A 4455/4885

“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.