SCHEMBL5268591

SCHEMBL5268591

O=C1NC(=O)C(S)(c2ccccc2)C(=O)N1Cc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.74
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ELANE P08246 4/20 0.47
CNR1 P21554 2/20 0.47
CTSG P08311 2/20 0.46
F2 P00734 1/20 0.46
PLG P00747 1/20 0.46
CMA1 P23946 1/20 0.46
CTRC Q99895 1/20 0.46
LMNA P02545 2/20 0.44
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43
MGLL Q99685 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PRTN3 P24158 1/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL16268124 0.85 CYP2C19 (1.00) CYP2C19KMT2AMEN1ELANECNR1
SCHEMBL16865384 0.79 CYP2C19 (0.62) CYP2C19KMT2AMEN1ELANECNR1
SCHEMBL16865392 0.78 CYP2C19 (0.61) CYP2C19KMT2AMEN1ELANECNR1
SCHEMBL17716267 0.78 CYP2C19 (0.65) CYP2C19KMT2AMEN1ELANECNR1
SCHEMBL7833789 0.76 ELANE (0.71) CYP2C19KMT2AMEN1ELANECNR1
SCHEMBL17716268 0.76 CYP2C19 (0.57) CYP2C19KMT2AMEN1ELANECNR1
SCHEMBL27630388 0.73 ELANE (0.73) CYP2C19KMT2AMEN1ELANECNR1
SCHEMBL16865430 0.73 CYP2C19 (0.58) CYP2C19KMT2AMEN1ELANECNR1
SCHEMBL16865390 0.73 CYP2C19 (0.58) CYP2C19KMT2AMEN1ELANECNR1
SCHEMBL15461433 0.72 CNR1 (0.80) CYP2C19KMT2ACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1459726-B1 ADHESIVES FOR DENTAL USE TOKUYAMA CORP (JP) 2013-10-02 EP disclosed
EP-1431315-B1 Photopolymerization initiator and photopolymerizable composition TOKUYAMA CORP (JP) 2007-10-17 EP disclosed
US-7041714-B2 Dental adhesive TOKUYAMA CORPORATION (JP) 2006-05-09 US disclosed
US-20040186195-A1 Photopolymerization initiator and photopolymerizable composition TOKUYAMA CORPORATION (JP) 2004-09-23 US disclosed
EP-1459726-A1 ADHESIVES FOR DENTAL USE TOKUYAMA CORPORATION (JP) 2004-09-22 EP disclosed
EP-1431315-A2 Photopolymerization initiator and photopolymerizable composition Tokuyama Corporation (JP) 2004-06-23 EP disclosed
US-20040077746-A1 Adhesives for dental use TOKUYAMA CORPORATION (JP) 2004-04-22 US disclosed
US-5290172-A Method for preparing a tooth surface for bonding GC CORPORATION (JP) 1994-03-01 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 (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-20040077746-A1 Adhesives for dental use ICAM1, CDH1, VCAM1 CYP2C19 2534/4885KMT2A 560/4885MEN1 4143/4885

“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.