SCHEMBL5168445

SCHEMBL5168445

CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 5/20 0.68
ITGB2 P05107 6/20 0.65
ITGAM P11215 6/20 0.65
PPARG P37231 1/20 0.61
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
ALDH1A1 P00352 4/20 0.61
HPGD P15428 1/20 0.61
MAPT P10636 3/20 0.60
POLB P06746 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
MCL1 Q07820 1/20 0.60
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
CTDSP1 Q9GZU7 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55

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
SCHEMBL5168454 1.00 SLC1A3 (0.68) SLC1A3ITGB2ITGAMPPARGMEN1
SCHEMBL5145430 0.93 MEN1 (0.60) SLC1A3ITGB2ITGAMPPARGMEN1
SCHEMBL5145434 0.93 MEN1 (0.60) SLC1A3ITGB2ITGAMPPARGMEN1
SCHEMBL5166105 0.91 ITGB2 (0.68) SLC1A3ITGB2ITGAMPPARGMEN1
SCHEMBL5166114 0.91 ITGB2 (0.68) SLC1A3ITGB2ITGAMPPARGMEN1
SCHEMBL5142921 0.89 ITGB2 (0.79) SLC1A3ITGB2ITGAMPPARGMEN1
SCHEMBL5142920 0.89 ITGB2 (0.79) SLC1A3ITGB2ITGAMPPARGMEN1
SCHEMBL5160915 0.88 MEN1 (0.67) SLC1A3ITGB2ITGAMMEN1KMT2A
SCHEMBL5160926 0.88 MEN1 (0.67) SLC1A3ITGB2ITGAMMEN1KMT2A
SCHEMBL5167082 0.86 ITGB2 (0.77) SLC1A3ITGB2ITGAMPPARGMEN1

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 SLC1A3 1224/4885ITGB2 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.