SCHEMBL968214

SCHEMBL968214

COCCCN(CCOC)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.54
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
PTPN1 P18031 2/20 0.47
MAPK1 P28482 1/20 0.46
F2 P00734 2/20 0.45
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
CA12 O43570 1/20 0.43

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
SCHEMBL16927007 0.84 VCAM1 (0.48) VCAM1KMT2AMEN1PTPN1F2
SCHEMBL14672958 0.82 KMT2A (0.39) VCAM1KMT2AMEN1PTPN1MAPK1
SCHEMBL12698043 0.82 KMT2A (0.39) VCAM1KMT2AMEN1PTPN1MAPK1
SCHEMBL29719600 0.81 KMT2A (0.50) VCAM1KMT2AMEN1PTPN1F2
SCHEMBL4381121 0.81 KMT2A (0.50) VCAM1KMT2AMEN1PTPN1F2
SCHEMBL15702328 0.81 KMT2A (0.51) KMT2AMEN1PTPN1F2PRSS1
SCHEMBL14672842 0.81 VCAM1 (0.43) VCAM1KMT2AMEN1PTPN1F2
SCHEMBL10312367 0.80 KMT2A (0.52) VCAM1KMT2AMEN1PTPN1F2
SCHEMBL1984721 0.80 KMT2A (0.51) VCAM1KMT2AMEN1PTPN1F2
SCHEMBL4387858 0.80 KMT2A (0.51) VCAM1KMT2AMEN1PTPN1F2

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-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US disclosed
EP-1970377-A1 LINCOMYCIN DERIVATIVE AND ANTIBACTERIAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2008-09-17 EP 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-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 VCAM1 4228/4885KMT2A 2133/4885MEN1 299/4885

“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.