SCHEMBL16809402

SCHEMBL16809402

CCOC(=O)CS(C)(=N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
GAA P10253 4/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ALDH1A1 P00352 3/20 0.44
TRPA1 O75762 1/20 0.44
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 1/20 0.37
SOAT1 P35610 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
HSD11B1 P28845 1/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL6181 0.81 GAA (0.52) KMT2AGAAMGAMSIMGAM2
SCHEMBL8413025 0.78 GAA (0.55) KMT2AGAAMGAMSIMGAM2
SCHEMBL47545 0.76 GAA (0.52) KMT2AGAAMGAMSIMGAM2
SCHEMBL11361701 0.76 GAA (0.52) KMT2AGAAMGAMSIMGAM2
SCHEMBL11220004 0.76 GAA (0.52) KMT2AGAAMGAMSIMGAM2
SCHEMBL7009464 0.74 GAA (0.50) KMT2AGAAMGAMSIMGAM2
SCHEMBL11604881 0.74 GAA (0.50) KMT2AGAAMGAMSIMGAM2
SCHEMBL19784556 0.74 GAA (0.50) KMT2AGAAMGAMSIMGAM2
SCHEMBL28011357 0.74 ALDH1A1 (0.52) KMT2AGAAMGAMSIMGAM2
SCHEMBL977691 0.74 GAA (0.50) KMT2AGAAMGAMSIMGAM2

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-3753935-A1 SUBSTITUTED DIALKYL(OXIDO)-LAMBDA4-SULFANYLIDENE NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2020-12-23 EP disclosed
EP-3080105-B1 SUBSTITUTED DIALKYL(OXIDO)-LAMBDA4-SULFANYLIDENE NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS ALLERGAN INC (US) 2020-09-02 EP disclosed
WO-2015089210-A1 SUBSTITUTED DIALKYL(OXIDO)-Λ4-SULFANYLIDENE NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2015-06-18 WO disclosed
US-20150166521-A1 SUBSTITUTED DIALKYL(OXIDO)-LAMBDA4-SULFANYLIDENE NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS ALLERGAN, INC. 2015-06-18 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 (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-20150166521-A1 SUBSTITUTED DIALKYL(OXIDO)-LAMBDA4-SULFANYLIDENE NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS NADK, MAP4K1, MAP4K2 KMT2A 2323/4885GAA 3043/4885MGAM 1996/4885

“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.