SCHEMBL3581635

SCHEMBL3581635

Cc1cnc2c(NC(=O)C3(O)CCCCC3NC(=O)OC(C)(C)C)cccc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.36
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OGFRL1 Q5TC84 2/20 0.33
MMP2 P08253 1/20 0.33
KCNH2 Q12809 1/20 0.33
OPRK1 P41145 1/20 0.33
MAP4K4 O95819 2/20 0.33
CDK5 Q00535 2/20 0.32
CDK5R1 Q15078 2/20 0.32
MAPKAPK2 P49137 1/20 0.32
SYK P43405 1/20 0.32
WNT3A P56704 1/20 0.32
F2R P25116 1/20 0.32
PDE10A Q9Y233 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31

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
SCHEMBL3581356 0.93 ADAM17 (0.34) ADAM17CKS1BSKP1SKP2OPRM1
SCHEMBL3577828 0.85 MAPT (0.42) KCNH2
SCHEMBL3574051 0.80 MTNR1A (0.39) KCNH2
SCHEMBL3576655 0.79 MEN1 (0.34) KCNH2JAK2JAK1
SCHEMBL3580109 0.77 TYK2 (0.33) CKS1BSKP1SKP2PDE10A
SCHEMBL3583797 0.76 JAK1 (0.35) MAP4K4CDK5JAK2JAK1
SCHEMBL3587625 0.74 CD274 (0.33) OPRM1OPRD1OGFRL1OPRK1
SCHEMBL5263242 0.72 KCNH2 (0.42) KCNH2
SCHEMBL5260906 0.72 CDK8 (0.41) CDK5SYKF2RJAK2JAK1
SCHEMBL5264535 0.70 KCNH2 (0.37) KCNH2MAP4K4

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
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US disclosed
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP disclosed
US-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 US disclosed
EP-1537123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-06-08 EP disclosed
WO-2004002992-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-01-08 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 (2 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-20060189604-A1 Compounds ELANE, PIGS, SDHA ADAM17 1825/4885CKS1B 4226/4885SKP1 3525/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS ADAM17 1840/4885CKS1B 4281/4885SKP1 3690/4885

“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.