SCHEMBL16833488

SCHEMBL16833488

CC(CO)(NC(=O)OCc1ccccc1)c1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.44
GUCY1B2 O75343 2/20 0.43
GUCY1A2 P33402 2/20 0.43
GUCY1A1 Q02108 2/20 0.43
GUCY1B1 Q02153 2/20 0.43
CTSS P25774 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 2/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
SYK P43405 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
CTSL P07711 1/20 0.40

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
SCHEMBL16846266 1.00 MEN1 (0.53) MEN1KMT2ASMN1; SMN2GUCY1B2GUCY1A2
SCHEMBL16846299 0.86 AAK1 (0.48) MEN1KMT2ASMN1; SMN2CTSSNPC1
SCHEMBL20803487 0.86 AAK1 (0.48) MEN1KMT2ASMN1; SMN2CTSSNPC1
SCHEMBL20803486 0.84 MEN1 (0.48) MEN1KMT2ASMN1; SMN2CTSSNPC1
SCHEMBL18194777 0.84 MEN1 (0.48) MEN1KMT2ASMN1; SMN2CTSSNPC1
SCHEMBL16846306 0.84 MEN1 (0.48) MEN1KMT2ASMN1; SMN2CTSSNPC1
SCHEMBL16846320 0.83 MEN1 (0.47) MEN1KMT2ASMN1; SMN2CTSSNPC1
SCHEMBL16846267 0.83 MEN1 (0.47) MEN1KMT2ASMN1; SMN2CTSSNPC1
SCHEMBL16833812 0.83 MEN1 (0.51) MEN1KMT2ASMN1; SMN2CTSSNPC1
SCHEMBL16833811 0.83 MEN1 (0.51) MEN1KMT2ASMN1; SMN2CTSSNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083644-B1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES HOFFMANN LA ROCHE (CH) 2019-03-13 EP disclosed
EP-3083644-B1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES HOFFMANN LA ROCHE (CH) 2019-03-13 EP disclosed
US-9605006-B2 5-aryl-1-imino-1-oxo-[1,2,4]thiadiazines HOFFMANN-LA ROCHE INC. (US) 2017-03-28 US disclosed
US-9605006-B2 5-aryl-1-imino-1-oxo-[1,2,4]thiadiazines HOFFMANN-LA ROCHE INC. (US) 2017-03-28 US disclosed
US-9605006-B2 5-aryl-1-imino-1-oxo-[1,2,4]thiadiazines HOFFMANN-LA ROCHE INC. (US) 2017-03-28 US disclosed
US-20160318952-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES HOFFMANN-LA ROCHE INC. (US) 2016-11-03 US disclosed
US-20160318952-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES HOFFMANN-LA ROCHE INC. (US) 2016-11-03 US disclosed
US-20160318952-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES HOFFMANN-LA ROCHE INC. (US) 2016-11-03 US disclosed
EP-3083644-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES F. Hoffmann-La Roche AG (CH) 2016-10-26 EP disclosed
WO-2015091595-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES F. HOFFMANN-LA ROCHE AG (CH) 2015-06-25 WO disclosed
WO-2015091595-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES F. HOFFMANN-LA ROCHE AG (CH) 2015-06-25 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-20160318952-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES BACE1, BACE2, PSEN1 MEN1 2917/4885KMT2A 3042/4885SMN1; SMN2 611/4885

“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.