SCHEMBL255029

SCHEMBL255029

COC(=O)C[C@H]1CSC(c2ccc3cc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])ccc3n2)=N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 6/20 0.39
KDM4E B2RXH2 3/20 0.39
CYP2C9 P11712 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
ESRRA P11474 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
SCN9A Q15858 5/20 0.38
TTR P02766 1/20 0.37
PPOX P50336 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL19393221 0.87 LMNA (0.42) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL138952 0.87 LMNA (0.42) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL14190538 0.85 MAPT (0.43) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL138900 0.84 LMNA (0.43) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20080094 0.84 MAPT (0.42) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL12958918 0.84 MAPT (0.42) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL140077 0.78 MEN1 (0.42) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL21017133 0.78 MEN1 (0.42) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL16471282 0.77 MAPT (0.43) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL14190717 0.77 MEN1 (0.37) LMNASMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058501-A1 OXIDIZED GLUTATHIONE ASSAY JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2012-03-08 US disclosed
WO-2012030960-A1 OXIDIZED GLUTATHIONE ASSAY PROMEGA CORPORATION (US) 2012-03-08 WO disclosed
US-7951550-B2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2011-05-31 US disclosed
EP-2277872-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions Promega Corporation (US) 2011-01-26 EP disclosed
EP-2272973-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions Promega Corporation (US) 2011-01-12 EP disclosed
EP-2272972-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions Promega Corporation (US) 2011-01-12 EP disclosed
US-20080299593-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2008-12-04 US disclosed
EP-1935986-A2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2008-06-25 EP disclosed
US-20070015790-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2007-01-18 US 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 (2 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-20080299593-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD LMNA 279/4885SMN1; SMN2 4848/4885MEN1 286/4885
US-20070015790-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD LMNA 480/4885SMN1; SMN2 4829/4885MEN1 505/4885

“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.