SCHEMBL5850486

SCHEMBL5850486

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
HCRTR2 O43614 11/20 0.37
USP2 O75604 1/20 0.36
TAOK1 Q7L7X3 1/20 0.36
TAOK3 Q9H2K8 1/20 0.36
PSMB5 P28074 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 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
SCHEMBL5849121 0.91 MCOLN2 (0.47) ALDH1A1TAOK1TAOK3PSMB5POLB
SCHEMBL5848796 0.88 ALDH1A1 (0.40) ALDH1A1USP2TAOK1TAOK3PSMB5
SCHEMBL5848743 0.86 TAOK1 (0.43) ALDH1A1USP2TAOK1TAOK3PSMB5
SCHEMBL5848493 0.86 TAOK1 (0.43) ALDH1A1USP2TAOK1TAOK3PSMB5
SCHEMBL5850513 0.86 TAOK1 (0.43) ALDH1A1USP2TAOK1TAOK3PSMB5
SCHEMBL6867039 0.86 TAOK1 (0.43) ALDH1A1USP2TAOK1TAOK3PSMB5
SCHEMBL5848731 0.86 TAOK1 (0.43) ALDH1A1USP2TAOK1TAOK3PSMB5
SCHEMBL6866717 0.85 ALDH1A1 (0.40) ALDH1A1USP2TAOK1TAOK3PSMB5
SCHEMBL5848160 0.84 DRD2 (0.46) ALDH1A1USP2POLBPRMT5WDR77
Hydrochloric Acid SCHEMBL5848656 0.84 ALDH1A1 (0.39) ALDH1A1USP2TAOK1TAOK3PSMB5

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
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
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 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 ALDH1A1 1884/4885HCRTR2 3945/4885USP2 1427/4885
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient BACE1, BACE2, CBS ALDH1A1 3625/4885HCRTR2 4291/4885USP2 1059/4885

“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.