SCHEMBL20545879

SCHEMBL20545879

NC(CC(=O)O)c1cc(OC(F)(F)F)cc(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSA P10619 9/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MME P08473 1/20 0.44
MMP12 P39900 3/20 0.43
SLC13A5 Q86YT5 1/20 0.41
MMP13 P45452 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
EPHX1 P07099 1/20 0.39
FFAR1 O14842 1/20 0.39
S1PR1 P21453 1/20 0.39

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
SCHEMBL20545877 1.00 CTSA (0.47) CTSAKMT2ASMN1; SMN2MMEMMP12
SCHEMBL20546119 0.86 CTSA (0.53) CTSAKMT2ASMN1; SMN2MMESLC13A5
SCHEMBL30671437 0.86 POLB (0.41) CTSAKMT2ASMN1; SMN2MME
SCHEMBL20546118 0.86 CTSA (0.53) CTSAKMT2ASMN1; SMN2MMESLC13A5
SCHEMBL28372538 0.86 POLB (0.41) CTSAKMT2ASMN1; SMN2MME
SCHEMBL20546028 0.85 CTSA (0.61) CTSAKMT2ASMN1; SMN2MMESLC13A5
SCHEMBL20546029 0.85 CTSA (0.61) CTSAKMT2ASMN1; SMN2MMESLC13A5
SCHEMBL20545899 0.84 CTSA (0.64) CTSAKMT2ASMN1; SMN2MMESLC13A5
SCHEMBL20545894 0.84 CTSA (0.52) CTSAKMT2ASMN1; SMN2MMEMMP12
SCHEMBL20545896 0.84 CTSA (0.52) CTSAKMT2ASMN1; SMN2MMEMMP12

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 6 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
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 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.