SCHEMBL3588883

SCHEMBL3588883

CC(C)(C)OC(=O)NC1CCC(O)(C(=O)Nc2ccnc3c2OCCO3)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.43
JAK1 P23458 4/20 0.36
JAK2 O60674 3/20 0.36
BTK Q06187 2/20 0.35
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
CFTR P13569 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
EPHX2 P34913 1/20 0.34
AKT1 P31749 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL3581535 0.77 UTS2R (0.41) KCNH2JAK1JAK2BTK
SCHEMBL3573496 0.75 KCNH2 (0.40) KCNH2JAK1JAK2BTKKDM1A
SCHEMBL30853060 0.72 METAP1 (0.38) KDM4D
SCHEMBL24752319 0.72 METAP1 (0.38) KDM4D
SCHEMBL3198182 0.71 ATR (0.41)
SCHEMBL572248 0.67 BTK (0.51) JAK1JAK2BTKKDM1AMAOB
SCHEMBL509300 0.67 BTK (0.48) JAK1JAK2BTKKDM1AMAOB
SCHEMBL12528056 0.67 BTK (0.48) JAK1JAK2BTKKDM1AMAOB
SCHEMBL13407396 0.66 BTK (0.47) JAK1JAK2BTKKDM1AMAOB
SCHEMBL5263809 0.66 BTK (0.47) JAK1JAK2BTKKDM1AMAOB

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 KCNH2 2854/4885JAK1 4758/4885JAK2 3578/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS KCNH2 3731/4885JAK1 4767/4885JAK2 4631/4885

“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.