SCHEMBL5848014

SCHEMBL5848014

CC(C)CCC(=O)C(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)N1CCN(CCCc2ccccc2)c2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.48
CTSL P07711 12/20 0.47
CTSB P07858 4/20 0.46
CTSS P25774 5/20 0.45

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
SCHEMBL5849002 0.95 CTSL (0.49) CTSKCTSLCTSBCTSS
SCHEMBL5848469 0.93 CTSK (0.47) CTSKCTSLCTSBCTSS
SCHEMBL5848127 0.91 CTSK (0.48) CTSKCTSLCTSBCTSS
SCHEMBL5848367 0.90 CTSK (0.47) CTSKCTSLCTSBCTSS
SCHEMBL5850580 0.89 CTSK (0.49) CTSKCTSLCTSBCTSS
SCHEMBL5848789 0.89 CTSK (0.52) CTSKCTSLCTSBCTSS
SCHEMBL5849056 0.89 PSMB1 (0.47) CTSKCTSLCTSBCTSS
SCHEMBL5848528 0.88 CTSK (0.45) CTSKCTSLCTSBCTSS
SCHEMBL5850145 0.87 CTSK (0.48) CTSKCTSLCTSBCTSS
SCHEMBL5848009 0.83 CTSK (0.48) CTSKCTSLCTSBCTSS

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
US-7008938-B2 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient NOKIA CORPORATION (FI) 2006-03-07 US claimed
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-01-13 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
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 CTSK 344/4885CTSL 1570/4885CTSB 68/4885
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient BACE1, BACE2, CBS CTSK 161/4885CTSL 1068/4885CTSB 26/4885

“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.