SCHEMBL20546345

SCHEMBL20546345

N[C@@H](CC(=O)O)c1cccc(-c2ccccn2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CTSL P07711 2/20 0.50
CTSK P43235 1/20 0.50
CTSA P10619 11/20 0.47
FFAR1 O14842 1/20 0.46
KAT6A Q92794 1/20 0.43
CNR1 P21554 1/20 0.41
ANPEP P15144 1/20 0.41
ENPEP Q07075 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CFD P00746 1/20 0.41
F11 P03951 1/20 0.41
TPSB2 P20231 1/20 0.41

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
SCHEMBL20546348 1.00 KMT2A (0.52) KMT2ASMN1; SMN2CTSLCTSKCTSA
SCHEMBL7226758 0.85 FFAR1 (0.44) KMT2ASMN1; SMN2FFAR1
SCHEMBL20546126 0.84 PIM2 (0.50) KMT2ASMN1; SMN2CTSAANPEPENPEP
SCHEMBL20546125 0.84 PIM2 (0.50) KMT2ASMN1; SMN2CTSAANPEPENPEP
SCHEMBL30671490 0.83 CTSL (0.45) KMT2ASMN1; SMN2CTSLCTSKFFAR1
SCHEMBL22837947 0.83 CTSL (0.45) KMT2ASMN1; SMN2CTSLCTSKFFAR1
SCHEMBL20546130 0.82 KMT2A (0.58) KMT2ASMN1; SMN2CTSAFFAR1ANPEP
SCHEMBL20546132 0.82 KMT2A (0.58) KMT2ASMN1; SMN2CTSAFFAR1ANPEP
SCHEMBL20546305 0.77 CTSA (0.61) KMT2ASMN1; SMN2CTSLCTSKCTSA
SCHEMBL20546307 0.77 CTSA (0.61) KMT2ASMN1; SMN2CTSLCTSKCTSA

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 KMT2A 4455/4885SMN1; SMN2 2021/4885CTSL 2956/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 KMT2A 4455/4885SMN1; SMN2 2021/4885CTSL 2956/4885

“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.