SCHEMBL20545882

SCHEMBL20545882

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSA P10619 5/20 0.57
FFAR1 O14842 3/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DPP4 P27487 1/20 0.45
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
CFD P00746 3/20 0.43
TPSB2 P20231 3/20 0.43
F11 P03951 2/20 0.43
MME P08473 1/20 0.43
MMEL1 Q495T6 1/20 0.43
ANPEP P15144 1/20 0.41
ENPEP Q07075 1/20 0.41
AGXT P21549 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40

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
SCHEMBL20545880 1.00 CTSA (0.57) CTSAFFAR1KMT2ASMN1; SMN2DPP4
SCHEMBL20545838 0.90 FFAR1 (0.53) CTSAFFAR1KMT2ASMN1; SMN2MME
SCHEMBL20545837 0.90 FFAR1 (0.53) CTSAFFAR1KMT2ASMN1; SMN2MME
SCHEMBL20546132 0.89 KMT2A (0.58) CTSAFFAR1KMT2ASMN1; SMN2RXRA
SCHEMBL20546130 0.89 KMT2A (0.58) CTSAFFAR1KMT2ASMN1; SMN2RXRA
SCHEMBL20546003 0.88 KMT2A (0.49) CTSAFFAR1KMT2ASMN1; SMN2CFD
SCHEMBL20546001 0.88 KMT2A (0.49) CTSAFFAR1KMT2ASMN1; SMN2CFD
SCHEMBL20546154 0.87 KMT2A (0.48) CTSAFFAR1KMT2ASMN1; SMN2DPP4
SCHEMBL20546151 0.87 KMT2A (0.48) CTSAFFAR1KMT2ASMN1; SMN2DPP4
SCHEMBL20546396 0.85 CTSA (0.49) CTSAFFAR1KMT2ASMN1; SMN2RXRA

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 37/4885KMT2A 4455/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 CTSA 2240/4885FFAR1 37/4885KMT2A 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.