SCHEMBL10143885

SCHEMBL10143885

CC(C)(C)OC(=O)NC(CCCCN)C(=O)OC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.51
ITGA2B P08514 8/20 0.51
HDAC4 P56524 3/20 0.50
HDAC1 Q13547 3/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CACNA1B Q00975 5/20 0.47
CTSK P43235 2/20 0.43
CTSS P25774 1/20 0.41
KLK7 P49862 1/20 0.40
KLK5 Q9Y337 1/20 0.40

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
SCHEMBL14206946 0.96 HDAC4 (0.48) ITGB3ITGA2BHDAC4HDAC1HDAC6
SCHEMBL375994 0.91 CACNA1B (0.49) ITGB3ITGA2BHDAC4HDAC1HDAC6
SCHEMBL192830 0.88 HDAC4 (0.49) ITGB3ITGA2BHDAC4HDAC1HDAC6
SCHEMBL192829 0.88 HDAC4 (0.49) ITGB3ITGA2BHDAC4HDAC1HDAC6
SCHEMBL193387 0.86 CACNA1B (0.50) ITGB3ITGA2BHDAC4HDAC1HDAC6
SCHEMBL375989 0.86 CACNA1B (0.50) ITGB3ITGA2BHDAC4HDAC1HDAC6
SCHEMBL13421951 0.86 HDAC4 (0.48) ITGB3ITGA2BHDAC4HDAC1HDAC6
SCHEMBL30022028 0.86 CTSK (0.56) HDAC4HDAC1HDAC6CACNA1BCTSK
SCHEMBL193388 0.86 CACNA1B (0.50) ITGB3ITGA2BHDAC4HDAC1HDAC6
SCHEMBL192989 0.85 CACNA1B (0.50) HDAC4HDAC1HDAC6CACNA1BCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079743-B1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD (GB) 2012-01-25 EP disclosed
US-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2010-08-26 US disclosed
WO-2008050096-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2008-05-02 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-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER PLK2, PLK4, PLK3 ITGB3 3548/4885ITGA2B 4301/4885HDAC4 2850/4885

“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.