SCHEMBL335430

SCHEMBL335430

CCOC(=O)CC1=NS(=O)(=O)c2c(C(OC)OC)csc2N1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPK1 P28482 2/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 2/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 3/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL335429 0.78 MAPK1 (0.32) MEN1KMT2AMAPK1HTTLMNA
SCHEMBL6686449 0.66 MAPT (0.35) MEN1KMT2ALMNATSHRGAA
SCHEMBL5097658 0.65 ALDH1A1 (0.54) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL5097715 0.63 KMT2A (0.42) MEN1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL6233072 0.63 RECQL (0.40) MEN1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL393138 0.62 ALDH1A1 (0.39) MEN1KMT2AMAPK1HTTLMNA
SCHEMBL5098238 0.62 MEN1 (0.41) MEN1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL7073510 0.62 TP53 (0.39) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL8819461 0.61 SMN1; SMN2 (0.34) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL6689528 0.61 MEN1 (0.39) MEN1KMT2ALMNATSHRSMN1; SMN2

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
US-8222404-B2 [1,2,4]Thiadiazin-3-yl acetic acid compound and methods of making the acetic acid compound ANADYS PHARMACEUTICALS, INC. (US) 2012-07-17 US disclosed
US-20120116077-A1 [1,2,4]THIADIAZIN-3-YL ACETIC ACID COMPOUND[[S]] AND METHODS OF MAKING THE ACETIC ACID COMPOUND ANADYS PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-8097613-B2 [1,2,4]thiadiazine 1,1-dioxide compounds ANADYS PHARMACEUTICALS, INC. (US) 2012-01-17 US disclosed
WO-2009152166-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed
US-20090306057-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2009-12-10 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-20120116077-A1 [1,2,4]THIADIAZIN-3-YL ACETIC ACID COMPOUND[[S]] AND METHODS OF MAKING THE ACETIC ACID COMPOUND ACMSD, ACACA, ALDH1A1 MEN1 2439/4885KMT2A 1745/4885MAPK1 1756/4885
US-20090306057-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS CYP2E1, CYP1A1, CYP1B1 MEN1 2463/4885KMT2A 3143/4885MAPK1 2493/4885

“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.