Sugi Predict

Sugi Predict / Compounds / SCHEMBL20545707

SCHEMBL20545707

SCHEMBL20545707

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.42
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ CACNA1F O60840 2/20 0.33
▸ CACNA1D Q01668 2/20 0.33
▸ CACNA1S Q13698 2/20 0.33
▸ CACNA1C Q13936 2/20 0.33
▸ F2 P00734 1/20 0.33
▸ F10 P00742 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
SCHEMBL20545826 0.84 PKM (0.42) GAARAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL20545409 0.83 PTGDR2 (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL29219886 0.81 KDM4E (0.39) GAARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL20546366 0.79 SMN1; SMN2 (0.39) GAARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL1201874 0.77 GAA (0.38) GAARAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL15055428 0.77 GAA (0.46) GAARAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL3862883 0.76 PTGS2 (0.42) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL25623790 0.74 ALDH1A1 (0.46) GAACYP1A2KDM4EALDH1A1
SCHEMBL26921290 0.74 ALDH1A1 (0.46) GAACYP1A2KDM4EALDH1A1
SCHEMBL5742697 0.74 ACHE (0.50) KDM4EALDH1A1HTTLMNA

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 GAA 2874/4885RAB9A 1097/4885NPC1 3297/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 GAA 2874/4885RAB9A 1097/4885NPC1 3297/4885

“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.