Sugi Predict

Sugi Predict / Compounds / SCHEMBL20546366

SCHEMBL20546366

SCHEMBL20546366

CCOC(=O)CC(NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(OCC(F)(F)F)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ MEN1 O00255 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ S1PR2 O95136 1/20 0.34
▸ S1PR4 O95977 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ S1PR5 Q9H228 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ THRB P10828 1/20 0.33

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
SCHEMBL20545886 0.88 PTGDR2 (0.41) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL29219991 0.85 GAA (0.34) SMN1; SMN2GAAMEN1MAPTKMT2A
SCHEMBL20545707 0.79 GAA (0.42) SMN1; SMN2NPC1RAB9AGAAMEN1
SCHEMBL20545644 0.79 NPSR1 (0.42) SMN1; SMN2MAPTLMNAALDH1A1NPSR1
SCHEMBL20546057 0.75 F10 (0.39) SMN1; SMN2MAPTLMNAALDH1A1KDM4E
SCHEMBL29219908 0.75 MAPT (0.34) SMN1; SMN2GAAMEN1MAPTKMT2A
SCHEMBL20545717 0.72 ALDH1A1 (0.38) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL20546631 0.71 LMNA (0.37) SMN1; SMN2RAB9AGAAMAPTLMNA
SCHEMBL20546387 0.71 LMNA (0.40) MEN1MAPTKMT2ALMNA
SCHEMBL1201874 0.70 GAA (0.38) SMN1; SMN2NPC1RAB9AGAAMEN1

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 SMN1; SMN2 2021/4885NPC1 3297/4885RAB9A 1097/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 SMN1; SMN2 2021/4885NPC1 3297/4885RAB9A 1097/4885

“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.