SCHEMBL16833799

SCHEMBL16833799

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 3/20 0.47
GUCY1A2 P33402 3/20 0.47
GUCY1A1 Q02108 3/20 0.47
GUCY1B1 Q02153 3/20 0.47
KCNN4 O15554 5/20 0.41
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
PDK1 Q15118 2/20 0.39
PDK2 Q15119 2/20 0.39
PDK3 Q15120 2/20 0.39
PDK4 Q16654 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KCNE1 P15382 1/20 0.38
KCNQ1 P51787 1/20 0.38
RIPK1 Q13546 1/20 0.37
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
SCHEMBL3447426 0.81 PDE2A (0.43) PDK1PDK2PDK3PDK4POLB
SCHEMBL16833488 0.81 MEN1 (0.53) GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPC1
SCHEMBL16846266 0.81 MEN1 (0.53) GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPC1
SCHEMBL16833939 0.80 KCNN4 (0.36) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KCNN4
SCHEMBL16834109 0.80 KCNN4 (0.36) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KCNN4
SCHEMBL16834115 0.80 KCNN4 (0.36) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KCNN4
SCHEMBL9951922 0.79 AR (0.36) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KCNN4
SCHEMBL9953037 0.79 PTGDR2 (0.40) NPC1RAB9AGAA
SCHEMBL16834048 0.78 GUCY1B2 (0.38) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KCNN4
SCHEMBL26907235 0.78 CYP3A4 (0.49) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KCNN4

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 5 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
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
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

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 GUCY1B2 1557/4885GUCY1A2 1290/4885GUCY1A1 817/4885

“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.