SCHEMBL3280488

SCHEMBL3280488

COC(=O)c1cncc(N2CCC(NC(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.48
SKP1 P63208 1/20 0.48
SKP2 Q13309 1/20 0.48
SUV39H2 Q9H5I1 5/20 0.45
KDM4D Q6B0I6 3/20 0.42
MET P08581 1/20 0.41
CTSK P43235 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OGFRL1 Q5TC84 1/20 0.41
BTK Q06187 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ATM Q13315 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 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
SCHEMBL3281737 0.89 DPP4 (0.50) CKS1BSKP1SKP2SUV39H2MET
SCHEMBL8510780 0.84 CKS1B (0.49) CKS1BSKP1SKP2SUV39H2KDM4D
SCHEMBL3282162 0.83 KDM4D (0.51) CKS1BSKP1SKP2SUV39H2KDM4D
SCHEMBL5203538 0.82 ALDH1A1 (0.51) CKS1BSKP1SKP2SUV39H2KDM4D
SCHEMBL3282053 0.82 CKS1B (0.45) CKS1BSKP1SKP2SUV39H2KDM4D
SCHEMBL3281872 0.82 DRD2 (0.44) CKS1BSKP1SKP2SUV39H2KDM4D
SCHEMBL647174 0.81 CTSK (0.48) CKS1BSKP1SKP2SUV39H2KDM4D
SCHEMBL3284353 0.81 KDM4D (0.44) CKS1BSKP1SKP2SUV39H2KDM4D
SCHEMBL9181830 0.80 GPR119 (0.45) CKS1BSKP1SKP2SUV39H2KDM4D
SCHEMBL23572659 0.79 GPR119 (0.48) CKS1BSKP1SKP2GPR119ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1882568-B Pyrrol derivatives with antibacterial activity ASTRAZENECA AB 2012-03-28 CN disclosed
US-7709503-B2 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-1664025-B1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2007-09-19 EP disclosed
CN-1882568-A Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2006-12-20 CN disclosed
US-20060223801-A1 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2006-10-05 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-20060223801-A1 Pyrrol derivatives with antibacterial activity PEF1, PEPD, PELP1 CKS1B 3848/4885SKP1 497/4885SKP2 2787/4885

“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.