SCHEMBL5167082

SCHEMBL5167082

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 6/20 0.77
ITGAM P11215 6/20 0.77
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
POLB P06746 1/20 0.66
CTDSP1 Q9GZU7 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
PPARG P37231 1/20 0.62
SLC1A3 P43003 5/20 0.62
CASP3 P42574 1/20 0.61
SENP8 Q96LD8 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
SENP6 Q9GZR1 1/20 0.61
MAP3K5 Q99683 1/20 0.59
ALDH1A1 P00352 3/20 0.58
MAPT P10636 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58

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
SCHEMBL5167090 1.00 ITGB2 (0.77) ITGB2ITGAMMEN1KMT2APOLB
SCHEMBL5143140 0.91 PTPN22 (0.66) ITGB2ITGAMMEN1KMT2APOLB
SCHEMBL5143138 0.91 PTPN22 (0.66) ITGB2ITGAMMEN1KMT2APOLB
SCHEMBL5145055 0.90 ITGB2 (0.74) ITGB2ITGAMMEN1KMT2APOLB
SCHEMBL5145053 0.90 ITGB2 (0.74) ITGB2ITGAMMEN1KMT2APOLB
SCHEMBL5166105 0.88 ITGB2 (0.68) ITGB2ITGAMMEN1KMT2APOLB
SCHEMBL5166114 0.88 ITGB2 (0.68) ITGB2ITGAMMEN1KMT2APOLB
SCHEMBL684265 0.87 ITGB2 (1.00) ITGB2ITGAMMEN1KMT2APOLB
SCHEMBL46558 0.87 ITGB2 (1.00) ITGB2ITGAMMEN1KMT2APOLB
SCHEMBL5142921 0.86 ITGB2 (0.79) ITGB2ITGAMMEN1KMT2APOLB

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 ITGB2 1496/4885ITGAM 656/4885MEN1 4004/4885

“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.