SCHEMBL3375756

SCHEMBL3375756

COc1cnc2cccc(/C=C/C3CCC(NC(=O)OC(C)(C)C)CC3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
BTK Q06187 4/20 0.39
MAP4K4 O95819 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
HPGDS O60760 5/20 0.38
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
JAK1 P23458 2/20 0.37
JAK2 O60674 1/20 0.37
PARP1 P09874 1/20 0.36
LIPG Q9Y5X9 1/20 0.36

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
SCHEMBL3375769 1.00 CKS1B (0.39) CKS1BSKP1SKP2BTKMAP4K4
SCHEMBL3375766 1.00 CKS1B (0.39) CKS1BSKP1SKP2BTKMAP4K4
SCHEMBL3375760 1.00 CKS1B (0.39) CKS1BSKP1SKP2BTKMAP4K4
SCHEMBL2537065 0.87 JAK1 (0.40) CKS1BSKP1SKP2MAP4K4MTNR1A
SCHEMBL3374285 0.87 JAK1 (0.40) CKS1BSKP1SKP2MAP4K4MTNR1A
SCHEMBL3374280 0.87 JAK1 (0.40) CKS1BSKP1SKP2MAP4K4MTNR1A
SCHEMBL2537062 0.87 JAK1 (0.40) CKS1BSKP1SKP2MAP4K4MTNR1A
SCHEMBL2537063 0.87 JAK1 (0.40) CKS1BSKP1SKP2MAP4K4MTNR1A
SCHEMBL3377669 0.82 HPGDS (0.43) CKS1BSKP1SKP2BTKMTNR1A
SCHEMBL3377665 0.82 HPGDS (0.43) CKS1BSKP1SKP2BTKMTNR1A

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
EP-1987040-B1 ETHANOL OR 1,2-ETHANEDIOL CYCLOHEXYL ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-11-10 EP disclosed
US-7820655-B2 Ethanol or 1,2-ethanediol cyclohexyl antibiotic derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-10-26 US disclosed
US-20090005368-A1 such as 6-({trans-4-[(1R)-1-hydroxy-2-(3-methoxy-quinolin-5-yl)-ethyl]-cyclohexylamino}-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one for treating infections from Streptococcus pneumoniae, Haemophilus influenzae, Moraxella, Staphylococcus, Enterococcus ACTELION PHARMACEUTICALS LTD. (CH) 2009-01-01 US disclosed
EP-1987040-A1 ETHANOL OR 1,2-ETHANEDIOL CYCLOHEXYL ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-11-05 EP disclosed
WO-2007093963-A1 ETHANOL OR 1,2-ETHANEDIOL CYCLOHEXYL ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-08-23 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 (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-20090005368-A1 such as 6-({trans-4-[(1R)-1-hydroxy-2-(3-methoxy-quinolin-5-yl)-ethyl]-cyclohexylamino}-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one for treating infections from Streptococcus pneumoniae, Haemophilus influenzae, Moraxella, Staphylococcus, Enterococcus RBPJ, RXRA, MRPL21 CKS1B 3213/4885SKP1 3025/4885SKP2 2284/4885

“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.