Sugi Predict

Sugi Predict / Compounds / SCHEMBL20545409

SCHEMBL20545409

SCHEMBL20545409

CCOC(=O)CC(N)c1ccc(OCC(F)(F)F)c(-c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 5/20 0.43
▸ SQOR Q9Y6N5 1/20 0.40
▸ MAPK1 P28482 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TLR9 Q9NR96 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ BCL2A1 Q16548 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ POLB P06746 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ S1PR4 O95977 1/20 0.38
▸ LMNA P02545 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
SCHEMBL28368181 0.87 CTSA (0.42) PTGDR2MAPK1SCN9ATP53HPGD
SCHEMBL30541459 0.87 CTSA (0.42) PTGDR2MAPK1SCN9ATP53HPGD
SCHEMBL29219754 0.87 CTSA (0.42) PTGDR2MAPK1SCN9ATP53HPGD
SCHEMBL28372548 0.85 CTSA (0.43) PTGDR2ALDH1A1SMN1; SMN2CTSA
SCHEMBL30541542 0.85 CTSA (0.43) PTGDR2ALDH1A1SMN1; SMN2CTSA
SCHEMBL20545707 0.83 GAA (0.42) ALDH1A1KMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL20545886 0.82 PTGDR2 (0.41) PTGDR2SQORMAPK1ALDH1A1L3MBTL1
SCHEMBL29219839 0.82 ALDH1A1 (0.37) PTGDR2SQORMAPK1ALDH1A1L3MBTL1
SCHEMBL30541483 0.82 SMN1; SMN2 (0.43) SQORALDH1A1HPGDKMT2AHSD17B10
SCHEMBL28885092 0.82 SMN1; SMN2 (0.43) SQORALDH1A1HPGDKMT2AHSD17B10

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
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 PTGDR2 173/4885SQOR 3249/4885MAPK1 1849/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 PTGDR2 173/4885SQOR 3249/4885MAPK1 1849/4885

“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.