SCHEMBL5744658

SCHEMBL5744658

COc1ccc(/C=C/C(=O)Nc2cc(N(C=O)OC(C)(C)C)c3ccccc3c2CCOS(C)(=O)=O)c(OC)n1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL5743793 0.91 HDAC8 (0.32) HDAC8
SCHEMBL5744255 0.91 NPC1 (0.32) HDAC8
SCHEMBL5741378 0.91 RAD52 (0.33) HDAC8
SCHEMBL6196305 0.87 NPC1 (0.40)
SCHEMBL5744657 0.84 TRPV1 (0.31)
SCHEMBL5743841 0.77 NPC1 (0.42)
SCHEMBL5742897 0.77 NPC1 (0.42)
SCHEMBL5744085 0.77 NPC1 (0.41)
SCHEMBL5744253 0.74 NPC1 (0.34) HDAC8
SCHEMBL5743792 0.74 TRPV1 (0.33) HDAC8

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
EP-1320522-B8 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS LEE MOSES (US) 2006-02-01 EP disclosed
EP-1320522-B1 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO LTD (JP) 2005-11-23 EP disclosed
US-6660742-B2 Alkylation therapy; anticancer agent TAIHO PHARMACEUTICAL CO. LTD. (JP) 2003-12-09 US disclosed
EP-1320522-A2 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2003-06-25 EP disclosed
US-20030073731-A1 Compositions and methods of the use thereof achiral analogues of CC-1065 and the duocarmycins MEDIMMUNE LIMITED (GB) 2003-04-17 US disclosed
WO-2002030894-A2 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2002-04-18 WO 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-20030073731-A1 Compositions and methods of the use thereof achiral analogues of CC-1065 and the duocarmycins DDB1, ERCC2, SSU72 HDAC8 2462/4885

“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.