SCHEMBL20545644

SCHEMBL20545644

CCOC(=O)CC(NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
MMP8 P22894 1/20 0.40
CYP26A1 O43174 1/20 0.39
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
F10 P00742 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CTSA P10619 1/20 0.38
CYP19A1 P11511 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL20546057 0.87 F10 (0.39) ALDH1A1MAPTADORA3MMP8SMN1; SMN2
SCHEMBL20546631 0.83 LMNA (0.37) ALDH1A1MAPTMMP8SMN1; SMN2F10
SCHEMBL20546387 0.82 LMNA (0.40) MAPTF10LMNACTSA
SCHEMBL20546321 0.81 MAPT (0.40) MAPTSMN1; SMN2F10LMNA
SCHEMBL20546366 0.79 SMN1; SMN2 (0.39) NPSR1ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL29219991 0.79 GAA (0.34) NPSR1ALDH1A1MAPTMMP8SMN1; SMN2
SCHEMBL24307417 0.78 ALDH1A1 (0.40) NPSR1ALDH1A1MAPTHTTADORA3
SCHEMBL22699242 0.77 CTSS (0.44) NPSR1ALDH1A1MAPTHTTCYP26A1
SCHEMBL20545717 0.77 ALDH1A1 (0.38) ALDH1A1HTTMMP8SMN1; SMN2KDM4E
SCHEMBL23256363 0.77 CTSS (0.44) NPSR1ALDH1A1MAPTHTTCYP26A1

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 7 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
CN-110914242-A Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2020-03-24 CN 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 NPSR1 391/4885ALDH1A1 263/4885MAPT 3961/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 NPSR1 391/4885ALDH1A1 263/4885MAPT 3961/4885

“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.