SCHEMBL5143138

SCHEMBL5143138

COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 4/20 0.66
ITGB2 P05107 2/20 0.62
ITGAM P11215 2/20 0.62
MAP3K5 Q99683 2/20 0.61
SLC1A3 P43003 1/20 0.58
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
RAB9A P51151 2/20 0.57
KDM4E B2RXH2 1/20 0.57
USP2 O75604 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
PKM P14618 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTT P42858 1/20 0.57

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
SCHEMBL5143140 1.00 PTPN22 (0.66) PTPN22ITGB2ITGAMMAP3K5SLC1A3
SCHEMBL5167082 0.91 ITGB2 (0.77) ITGB2ITGAMMAP3K5SLC1A3MEN1
SCHEMBL5167090 0.91 ITGB2 (0.77) ITGB2ITGAMMAP3K5SLC1A3MEN1
SCHEMBL5145434 0.86 MEN1 (0.60) PTPN22ITGB2ITGAMSLC1A3MEN1
SCHEMBL5145430 0.86 MEN1 (0.60) PTPN22ITGB2ITGAMSLC1A3MEN1
SCHEMBL46552 0.85 PTPN22 (0.75) PTPN22ITGB2ITGAMSLC1A3MEN1
SCHEMBL21337631 0.85 PTPN22 (0.69) PTPN22ITGB2ITGAMMAP3K5SLC1A3
SCHEMBL5144867 0.85 PTPN22 (0.75) PTPN22ITGB2ITGAMSLC1A3MEN1
SCHEMBL5169574 0.85 MAP3K5 (0.62) PTPN22ITGB2ITGAMMAP3K5MEN1
SCHEMBL5169570 0.85 MAP3K5 (0.62) PTPN22ITGB2ITGAMMAP3K5MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718308-A4 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORP (CA) 2007-07-18 EP disclosed
EP-1718308-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PainCeptor Pharma Corp. (CA) 2006-11-08 EP disclosed
US-20050282840-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2005-12-22 US disclosed
WO-2005076695-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2005-08-25 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-20050282840-A1 Methods of modulating neurotrophin-mediated activity NGF, BDNF, NTRK2 PTPN22 1167/4885ITGB2 1496/4885ITGAM 656/4885

“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.