SCHEMBL3782441

SCHEMBL3782441

CC(C)(C)OC(=O)NC(CC1CCN(C(=O)O)CC1)C(=O)OC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.51
▸ CTSK P43235 2/20 0.51
▸ CACNA1B Q00975 5/20 0.44
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ ITGB3 P05106 7/20 0.39
▸ ITGA2B P08514 7/20 0.39
▸ AAK1 Q2M2I8 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL17373385 0.87 CTSS (0.53) CTSSCTSKITGB3ITGA2BAAK1
SCHEMBL20395448 0.87 CTSS (0.53) CTSSCTSKITGB3ITGA2BAAK1
SCHEMBL13260654 0.84 CACNA1B (0.52) CACNA1BITGB3ITGA2BMAPK1
SCHEMBL375850 0.84 CTSS (0.46) CTSSCTSKCACNA1BITGB3ITGA2B
SCHEMBL375849 0.84 CTSS (0.46) CTSSCTSKCACNA1BITGB3ITGA2B
SCHEMBL192265 0.84 CTSK (0.52) CTSSCTSKCACNA1BHDAC4HDAC1
SCHEMBL192266 0.84 CTSK (0.52) CTSSCTSKCACNA1BHDAC4HDAC1
SCHEMBL375818 0.83 CTSK (0.51) CTSSCTSKCACNA1BHDAC4HDAC1
SCHEMBL375819 0.83 CTSK (0.51) CTSSCTSKCACNA1BHDAC4HDAC1
SCHEMBL6689450 0.79 CTSS (0.54) CTSSCTSKAAK1MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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

“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.

Send feedback