Sugi Predict

Sugi Predict / Compounds / SCHEMBL3873933

SCHEMBL3873933

SCHEMBL3873933

NC(=O)C[C@H](NC(=O)[CH]CC(F)(F)Cc1ccccc1)C(=O)c1noc(C2CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 3/20 0.36
▸ TUBB4A P04350 4/20 0.35
▸ TUBB P07437 4/20 0.35
▸ TUBA3C P0DPH7 4/20 0.35
▸ TUBA1B P68363 4/20 0.35
▸ TUBA4A P68366 4/20 0.35
▸ TUBB4B P68371 4/20 0.35
▸ TUBB3 Q13509 4/20 0.35
▸ TUBB2A Q13885 4/20 0.35
▸ TUBB8 Q3ZCM7 4/20 0.35
▸ TUBA3E Q6PEY2 4/20 0.35
▸ TUBA1A Q71U36 4/20 0.35
▸ TUBA1C Q9BQE3 4/20 0.35
▸ TUBB6 Q9BUF5 4/20 0.35
▸ TUBB2B Q9BVA1 4/20 0.35
▸ TUBB1 Q9H4B7 4/20 0.35
▸ CNR2 P34972 4/20 0.33
▸ PRSS1 P07477 2/20 0.33
▸ PRSS2 P07478 2/20 0.33
▸ PRSS3 P35030 2/20 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
SCHEMBL3871936 0.85 CNR2 (0.33) CNR2CNR1ALDH1A1RAB9A
SCHEMBL3872602 0.84 LIPG (0.32) CNR2LMNAALOX15ALDH1A1RAB9A
SCHEMBL3877226 0.75 SMYD3 (0.37) SMYD3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3870461 0.75 MMP1 (0.40) FAAHALDH1A1RAB9A
SCHEMBL3871979 0.69 FAAH (0.45) FAAHRAB9A
SCHEMBL5396647 0.69 HDAC6 (0.39) PRSS1PRSS2PRSS3TPSAB1TSHR
SCHEMBL8294496 0.68 CTSS (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5396679 0.67 PRSS1 (0.33) PRSS1PRSS2PRSS3TPSAB1ALDH1A1
SCHEMBL3879101 0.61 SMYD3 (0.40) SMYD3
SCHEMBL5385707 0.61 HDAC4 (0.32) —

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682524-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2006-07-26 — — EP claimed
WO-2005040142-A9 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMA INC (US) 2005-06-09 — — WO claimed
WO-2005040142-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-05-06 — — WO claimed
US-7482448-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-01-27 — — US disclosed
US-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-08-24 — — US disclosed
EP-1682524-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2006-07-26 — — EP disclosed
WO-2005040142-A9 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMA INC (US) 2005-06-09 — — WO disclosed
WO-2005040142-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-05-06 — — 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 (1 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-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors CTSB, CTSS, CTSK SMYD3 4628/4885TUBB4A 1134/4885TUBB 667/4885

“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.