SCHEMBL2641394

SCHEMBL2641394

Cc1cn(COCC[S])c(=O)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
TYMP P19971 2/20 0.51
HPGD P15428 1/20 0.50
TK1 P04183 6/20 0.47
TK2 O00142 2/20 0.45

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
SCHEMBL16382269 0.87 MAPK1 (0.51) MAPK1TYMPHPGDTK1TK2
SCHEMBL7215304 0.85 TYMP (0.50) MAPK1TYMPHPGDTK1TK2
SCHEMBL6029061 0.85 HPGD (0.53) MAPK1TYMPHPGDTK1TK2
SCHEMBL8444953 0.85 TYMP (0.50) MAPK1TYMPHPGDTK1TK2
SCHEMBL4088248 0.85 UPP1 (0.57) MAPK1TYMPHPGD
SCHEMBL6029548 0.85 TYMP (0.50) MAPK1TYMPHPGDTK1TK2
SCHEMBL13402919 0.85 TYMP (0.54) MAPK1TYMPHPGDTK1TK2
SCHEMBL7219926 0.83 MAPK1 (0.54) MAPK1TYMPHPGDTK1TK2
SCHEMBL25344264 0.83 TYMP (0.48) MAPK1TYMPHPGDTK1TK2
SCHEMBL15850332 0.83 TYMP (0.48) MAPK1TYMPHPGDTK1TK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478653-B1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2014-07-02 EP claimed
JP-4603265-B2 2010-12-22 JP claimed
US-6995143-B2 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-02-07 US claimed
EP-1478653-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2004-11-24 EP claimed
US-20030212011-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-11-13 US claimed
WO-2003072588-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2003-09-04 WO claimed
US-6995143-B2 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-02-07 US disclosed
EP-1478653-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2004-11-24 EP disclosed
US-20030212011-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-11-13 US disclosed
WO-2003072588-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2003-09-04 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-20030212011-A1 Macrolides with antibacterial activity MRPL21, RPS21, MRPS18A MAPK1 1876/4885TYMP 3768/4885HPGD 4573/4885

“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.