SCHEMBL2826511

SCHEMBL2826511

O=C(O)Cc1ccc(-c2csc(N(CCCN3CCOCC3)C(=O)c3cccs3)n2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
KDM4E B2RXH2 5/20 0.51
MAPK1 P28482 4/20 0.51
MAPT P10636 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
USP2 O75604 2/20 0.51
HSD17B10 Q99714 2/20 0.51
LMNA P02545 5/20 0.49
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 5/20 0.43
GSTO1 P78417 1/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL2829595 0.89 TSHR (0.57) TSHRSMN1; SMN2KDM4EMAPK1MAPT
SCHEMBL2830271 0.89 TSHR (0.56) TSHRSMN1; SMN2KDM4EMAPK1MAPT
SCHEMBL2828594 0.88 TSHR (0.56) TSHRSMN1; SMN2KDM4EMAPK1MAPT
SCHEMBL2826380 0.86 SMN1; SMN2 (0.67) TSHRSMN1; SMN2KDM4EMAPK1MAPT
SCHEMBL2829114 0.86 TSHR (0.50) TSHRSMN1; SMN2KDM4EMAPK1MAPT
SCHEMBL2829861 0.84 SMN1; SMN2 (0.65) TSHRSMN1; SMN2KDM4EMAPK1MAPT
SCHEMBL2829525 0.84 TSHR (0.61) TSHRSMN1; SMN2KDM4EMAPK1MAPT
SCHEMBL2826973 0.83 TSHR (0.60) TSHRSMN1; SMN2KDM4EMAPK1MAPT
SCHEMBL2830427 0.82 TSHR (0.50) TSHRSMN1; SMN2KDM4EMAPK1MAPT
SCHEMBL2826470 0.82 TSHR (0.61) TSHRSMN1; SMN2KDM4EMAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168578-B1 Thiazole based inhibitors of ATP-utilizing enzymes GENENTECH INC (US) 2012-12-19 EP claimed
EP-2168578-A2 2-Amido-Thiazole-Based Compounds Exhibiting ATP-Utilizing Enzyme Inhibitory Activity, and Compositions, and Uses Thereof Genentech, Inc. (US) 2010-03-31 EP claimed
US-20090048313-A1 2-AMIDO-THIAZOLE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF GENENTECH, INC. (US) 2009-02-19 US claimed
US-7410988-B2 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof GENENTECH, INC. (US) 2008-08-12 US claimed
EP-2620150-A2 2-Amido Thiazole Based Inhibitors of ATP-Utilizing Enyzmes Genentech, Inc. (US) 2013-07-31 EP disclosed
EP-2168578-B1 Thiazole based inhibitors of ATP-utilizing enzymes GENENTECH INC (US) 2012-12-19 EP disclosed
EP-2168578-A2 2-Amido-Thiazole-Based Compounds Exhibiting ATP-Utilizing Enzyme Inhibitory Activity, and Compositions, and Uses Thereof Genentech, Inc. (US) 2010-03-31 EP 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-20090048313-A1 2-AMIDO-THIAZOLE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF ATP5ME, ATP5MG, ATP5MK TSHR 2723/4885SMN1; SMN2 4020/4885KDM4E 3385/4885

“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.