SCHEMBL3581356

SCHEMBL3581356

Cc1cnc2cccc(NC(=O)C3(O)CCCCC3NC(=O)OC(C)(C)C)c2n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.34
MAP4K4 O95819 2/20 0.34
KCNH2 Q12809 1/20 0.34
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
F2R P25116 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OGFRL1 Q5TC84 2/20 0.33
OPRK1 P41145 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
SYK P43405 1/20 0.32
PDE10A Q9Y233 1/20 0.32
ACACB O00763 2/20 0.31
ACACA Q13085 2/20 0.31
TGFBR1 P36897 1/20 0.31
MMP2 P08253 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
SCHEMBL3581635 0.93 ADAM17 (0.36) ADAM17MAP4K4KCNH2CKS1BSKP1
SCHEMBL3577828 0.87 MAPT (0.42) KCNH2
SCHEMBL3574051 0.80 MTNR1A (0.39) KCNH2
SCHEMBL3576655 0.79 MEN1 (0.34) KCNH2PARP1
SCHEMBL3580109 0.77 TYK2 (0.33) CKS1BSKP1SKP2PDE10A
SCHEMBL3583797 0.76 JAK1 (0.35) MAP4K4
SCHEMBL3587625 0.74 CD274 (0.33) OPRM1OPRD1OGFRL1OPRK1
SCHEMBL5263242 0.72 KCNH2 (0.42) KCNH2
SCHEMBL5260906 0.72 CDK8 (0.41) F2RSYKPARP1
SCHEMBL5264535 0.70 KCNH2 (0.37) MAP4K4KCNH2

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 1825/4885MAP4K4 3785/4885KCNH2 2854/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS ADAM17 1840/4885MAP4K4 3576/4885KCNH2 3731/4885

“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.