SCHEMBL5848388

SCHEMBL5848388

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 2/20 0.40
TAOK3 Q9H2K8 2/20 0.40
POLB P06746 2/20 0.39
TRPM8 Q7Z2W7 3/20 0.39
CTSK P43235 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
DHODH Q02127 1/20 0.37
HDAC4 P56524 1/20 0.37
DRD2 P14416 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ADAM17 P78536 1/20 0.35
USP2 O75604 1/20 0.35
DRD4 P21917 1/20 0.35
CCR2 P41597 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 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
SCHEMBL5850113 0.94 CTSK (0.44) TAOK1TAOK3POLBCTSKHDAC1
SCHEMBL5848745 0.92 TAOK1 (0.41) TAOK1TAOK3POLBHDAC1HDAC6
SCHEMBL6867039 0.92 TAOK1 (0.43) TAOK1TAOK3POLBCTSKHDAC1
SCHEMBL5848731 0.92 TAOK1 (0.43) TAOK1TAOK3POLBCTSKHDAC1
SCHEMBL5848743 0.92 TAOK1 (0.43) TAOK1TAOK3POLBCTSKHDAC1
SCHEMBL5850513 0.92 TAOK1 (0.43) TAOK1TAOK3POLBCTSKHDAC1
SCHEMBL5848493 0.92 TAOK1 (0.43) TAOK1TAOK3POLBCTSKHDAC1
SCHEMBL5849933 0.92 TAOK1 (0.41) TAOK1TAOK3POLBCTSKHDAC1
SCHEMBL5848769 0.92 TAOK1 (0.49) TAOK1TAOK3POLBTRPM8CTSK
SCHEMBL5848779 0.91 TNF (0.43) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
EP-1254898-A1 BENZENE-FUSED HETEROCYCLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-06 EP 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 TAOK1 2279/4885TAOK3 3114/4885POLB 1900/4885
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient BACE1, BACE2, CBS TAOK1 2998/4885TAOK3 3171/4885POLB 1435/4885

“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.