SCHEMBL375820

SCHEMBL375820

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)OC1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.56
CTSS P25774 6/20 0.47
CTSK P43235 5/20 0.47
KLK5 Q9Y337 1/20 0.44
ACE P12821 2/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
MAPK1 P28482 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
EPHX2 P34913 1/20 0.42
KMT2A Q03164 1/20 0.41

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
SCHEMBL193077 0.90 CACNA1B (0.59) CACNA1BCTSSCTSKACECTSL
SCHEMBL193076 0.90 CACNA1B (0.59) CACNA1BCTSSCTSKACECTSL
SCHEMBL12333298 0.90 CACNA1B (0.57) CACNA1BCTSSCTSKKLK5ACE
SCHEMBL10076795 0.89 CACNA1B (0.70) CACNA1BCTSSCTSKACECTSL
SCHEMBL3576709 0.89 CACNA1B (0.56) CACNA1BCTSSCTSKKLK5ACE
SCHEMBL5820678 0.89 CTSS (0.57) CACNA1BCTSSCTSKKLK5ACE
SCHEMBL5820675 0.89 CTSS (0.57) CACNA1BCTSSCTSKKLK5ACE
SCHEMBL14066410 0.87 CACNA1B (0.52) CACNA1BCTSSCTSKKLK5
SCHEMBL376098 0.85 CACNA1B (0.52) CACNA1BCTSSCTSKACE
SCHEMBL191872 0.85 ACACB (0.48) ITGB3ITGA2B

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 4 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
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 CACNA1B 4712/4885CTSS 2866/4885CTSK 983/4885

“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.