SCHEMBL2827583

SCHEMBL2827583

COc1ccc(-c2csc(N(CCCN3CCCC3)C(=O)c3ccco3)n2)cc1

nearest known ligand 0.86

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.86
MAPT P10636 3/20 0.86
LMNA P02545 2/20 0.86
TSHR P16473 6/20 0.71
USP2 O75604 3/20 0.71
NPSR1 Q6W5P4 3/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
RAB9A P51151 3/20 0.70
NPC1 O15118 2/20 0.70
KDM4E B2RXH2 4/20 0.69
HSD17B10 Q99714 2/20 0.69
KMT2A Q03164 7/20 0.67
MEN1 O00255 5/20 0.67
RAD52 P43351 5/20 0.59
ALDH1A1 P00352 2/20 0.59
HPGD P15428 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.54
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52

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
SCHEMBL2829227 0.99 MAPK1 (0.85) MAPK1MAPTLMNATSHRUSP2
SCHEMBL2830875 0.94 MAPK1 (0.85) MAPK1MAPTLMNATSHRUSP2
SCHEMBL2826449 0.93 MAPK1 (0.98) MAPK1MAPTLMNATSHRUSP2
SCHEMBL2825249 0.89 TSHR (0.71) MAPK1MAPTLMNATSHRUSP2
SCHEMBL2829557 0.88 TSHR (0.77) MAPK1MAPTLMNATSHRUSP2
SCHEMBL2826713 0.87 TSHR (0.76) MAPK1MAPTLMNATSHRUSP2
SCHEMBL2830296 0.87 TSHR (0.76) MAPK1MAPTLMNATSHRUSP2
SCHEMBL2833391 0.86 KMT2A (0.73) MAPK1MAPTLMNATSHRRAB9A
SCHEMBL2829852 0.85 KMT2A (0.72) MAPK1MAPTLMNATSHRRAB9A
SCHEMBL2830103 0.84 TSHR (0.73) MAPK1MAPTLMNATSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795290-B2 2-amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof GENENTECH, INC. (US) 2010-09-14 US 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-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 MAPK1 3940/4885MAPT 3561/4885LMNA 4104/4885

“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.