SCHEMBL6328304

SCHEMBL6328304

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nn(C(=O)O)cc1C#N

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
TTK P33981 1/20 0.31

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
SCHEMBL6323000 0.90 GPR119 (0.32) ALDH1A1GLATTK
SCHEMBL6328310 0.86
SCHEMBL6323004 0.76 GPR119 (0.33)
SCHEMBL6325535 0.71 GPR119 (0.30)
SCHEMBL31148636 0.71
SCHEMBL29145511 0.70 TRPV1 (0.40) ALDH1A1
SCHEMBL29450030 0.70 TRPV1 (0.40) ALDH1A1
SCHEMBL15163907 0.70 ALDH1A1 (0.39) ALDH1A1GLA
SCHEMBL3357162 0.69 NPSR1 (0.36) ALDH1A1
SCHEMBL31148700 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 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 (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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 ALDH1A1 338/4885GLA 1777/4885TTK 948/4885

“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.