Sugi Predict

Sugi Predict / Compounds / SCHEMBL5850113

SCHEMBL5850113

SCHEMBL5850113

CC(C)C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)CN1CCCc2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.44
▸ TAOK1 Q7L7X3 2/20 0.41
▸ TAOK3 Q9H2K8 2/20 0.41
▸ POLB P06746 2/20 0.40
▸ CTSS P25774 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL5848388 0.94 TAOK1 (0.40) CTSKTAOK1TAOK3POLBHDAC1
SCHEMBL5848493 0.94 TAOK1 (0.43) CTSKTAOK1TAOK3POLBHDAC1
SCHEMBL5848743 0.94 TAOK1 (0.43) CTSKTAOK1TAOK3POLBHDAC1
SCHEMBL5850513 0.94 TAOK1 (0.43) CTSKTAOK1TAOK3POLBHDAC1
SCHEMBL6867039 0.94 TAOK1 (0.43) CTSKTAOK1TAOK3POLBHDAC1
SCHEMBL5848731 0.94 TAOK1 (0.43) CTSKTAOK1TAOK3POLBHDAC1
SCHEMBL5848769 0.93 TAOK1 (0.49) CTSKTAOK1TAOK3POLBHDAC1
SCHEMBL5849933 0.93 TAOK1 (0.41) CTSKTAOK1TAOK3POLBHDAC1
SCHEMBL5848335 0.92 POLB (0.42) TAOK1TAOK3POLBHDAC1HDAC6
SCHEMBL5848745 0.92 TAOK1 (0.41) TAOK1TAOK3POLBHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient NOKIA CORPORATION (FI) 2003-08-28 — — US claimed
US-7008938-B2 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient NOKIA CORPORATION (FI) 2006-03-07 — — US disclosed
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-01-13 — — US disclosed
US-6809092-B2 1,3,4,5-TETRAHYDRO-2H-2-BENZAZEPIN-2-YL DERIVATIVES; CYSTEINE PROTEASE INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-10-26 — — US disclosed
US-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient NOKIA CORPORATION (FI) 2003-08-28 — — US 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-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient BACH1, BACE1, CMA1 CTSK 344/4885TAOK1 2279/4885TAOK3 3114/4885
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient BACE1, BACE2, CBS CTSK 161/4885TAOK1 2998/4885TAOK3 3171/4885

“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.