SCHEMBL2824469

SCHEMBL2824469

CCOC(=O)C(C#N)NC(=O)COC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
GAA P10253 3/20 0.38
RAB9A P51151 1/20 0.38
ACACB O00763 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
KMT2A Q03164 5/20 0.34
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL4955377 1.00 TSHR (0.38) TSHRGAARAB9AACACBKDM4E
SCHEMBL2775866 0.84 RXFP1 (0.39) TSHRGAAACACBHSD17B10L3MBTL1
SCHEMBL1968575 0.84 RXFP1 (0.39) TSHRGAAACACBHSD17B10L3MBTL1
SCHEMBL2830973 0.84 ACACB (0.39) TSHRGAAACACBKDM4EL3MBTL1
SCHEMBL7601775 0.82 ALDH1A1 (0.39) TSHRGAAHSD17B10L3MBTL1KMT2A
SCHEMBL1967339 0.81 KMT2A (0.41) TSHRGAAACACBL3MBTL1KMT2A
SCHEMBL1194168 0.79 SOAT1 (0.41) TSHRGAAKDM4EHSD17B10L3MBTL1
SCHEMBL1564967 0.79 SOAT1 (0.41) TSHRGAAKDM4EHSD17B10L3MBTL1
SCHEMBL8431191 0.79 KMT2A (0.45) TSHRGAAACACBL3MBTL1KMT2A
SCHEMBL655102 0.77 TSHR (0.43) TSHRGAARAB9AACACBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP disclosed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
US-20080312291-A1 Heterocyclic Gaba-b Modulators ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312291-A1 Heterocyclic Gaba-b Modulators ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312291-A1 Heterocyclic Gaba-b Modulators ASTRAZENECA AB (SE) 2008-12-18 US disclosed
EP-1966176-A1 HETEROCYCLIC GABA-B MODULATORS AstraZeneca AB (SE) 2008-09-10 EP disclosed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
WO-2007073296-A1 HETEROCYCLIC GABA-B MODULATORS ASTRAZENECA AB (SE) 2007-06-28 WO disclosed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US disclosed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 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 (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-20060160857-A1 Thiazole-4-carboxyamide derivatives GRM1, GRM2, GRIA4 TSHR 147/4885GAA 4165/4885RAB9A 3231/4885
US-20080312291-A1 Heterocyclic Gaba-b Modulators GABBR1, GABBR2, GABRB1 TSHR 114/4885GAA 922/4885RAB9A 1311/4885

“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.