SCHEMBL2845842

SCHEMBL2845842

CCOC(=O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1C[C@](O)(COS(C)(=O)=O)C[C@H]1CO3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.44
KCNH2 Q12809 3/20 0.41
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 2/20 0.38
ALB P02768 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TUBB4A P04350 3/20 0.37
TUBB P07437 3/20 0.37
TUBA3C P0DPH7 3/20 0.37
TUBA1B P68363 3/20 0.37
TUBA4A P68366 3/20 0.37
TUBB4B P68371 3/20 0.37
TUBB3 Q13509 3/20 0.37
TUBB2A Q13885 3/20 0.37
TUBB8 Q3ZCM7 3/20 0.37
TUBA3E Q6PEY2 3/20 0.37

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
SCHEMBL2844874 1.00 ADRB2 (0.44) ADRB2KCNH2CNR1CNR2KDM4E
SCHEMBL2840230 0.91 STAT3 (0.39) ADRB2KCNH2KDM4EALDH1A1HPGD
SCHEMBL2841076 0.91 STAT3 (0.39) ADRB2KCNH2KDM4EALDH1A1HPGD
SCHEMBL584569 0.91 STAT3 (0.39) ADRB2KCNH2KDM4EALDH1A1HPGD
SCHEMBL2842845 0.91 STAT3 (0.39) ADRB2KCNH2KDM4EALDH1A1HPGD
SCHEMBL2842836 0.90 ADRB2 (0.47) ADRB2KCNH2CNR1CNR2KDM4E
SCHEMBL2842152 0.90 ADRB2 (0.47) ADRB2KCNH2CNR1CNR2KDM4E
SCHEMBL584799 0.84 ADRB2 (0.46) ADRB2KCNH2CNR1CNR2KDM4E
SCHEMBL585343 0.84 ADRB2 (0.46) ADRB2KCNH2CNR1CNR2KDM4E
SCHEMBL583999 0.84 ADRB2 (0.46) ADRB2KCNH2CNR1CNR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222302-A1 Novel Antibacterial Compounds ACTELION PHARMACEUTICALS LTD (CH) 2010-09-02 US claimed
EP-2256120-A1 Oxazolidinone-quinolone hybrids as antibacterial compounds Actelion Pharmaceuticals Ltd. (CH) 2010-12-01 EP disclosed
US-20100222302-A1 Novel Antibacterial Compounds ACTELION PHARMACEUTICALS LTD (CH) 2010-09-02 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-20100222302-A1 Novel Antibacterial Compounds ODC1, AOC1, OGFOD1 ADRB2 1777/4885KCNH2 394/4885CNR1 439/4885

“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.