SCHEMBL2830962

SCHEMBL2830962

COc1cccc(NC(=O)c2csc(N(CCCN3CCOCC3)C(=O)c3cccs3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
LMNA P02545 4/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 3/20 0.48
USP2 O75604 1/20 0.48
RECQL P46063 1/20 0.48
KCNH2 Q12809 1/20 0.45
GAA P10253 1/20 0.45
CASR P41180 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL2826880 0.88 MAPK1 (0.52) LMNAMAPTMAPK1SMN1; SMN2TSHR
SCHEMBL2827969 0.88 MAPT (0.46) LMNAMAPTMAPK1SMN1; SMN2NPC1
SCHEMBL2828038 0.87 LMNA (0.45) LMNAMAPTMAPK1SMN1; SMN2NPC1
SCHEMBL2833321 0.85 SMN1; SMN2 (0.50) POLBLMNAMAPTMAPK1SMN1; SMN2
SCHEMBL2830852 0.84 MAPT (0.62) POLBLMNAMAPTMAPK1SMN1; SMN2
SCHEMBL2833450 0.83 MAPT (0.48) LMNAMAPTMAPK1SMN1; SMN2NPC1
SCHEMBL2828032 0.82 GLA (0.46) LMNAMAPTMAPK1SMN1; SMN2NPC1
SCHEMBL2829858 0.81 GAA (0.46) LMNAMAPTMAPK1SMN1; SMN2NPC1
SCHEMBL2830427 0.81 TSHR (0.50) LMNAMAPTMAPK1SMN1; SMN2RAB9A
SCHEMBL2825100 0.80 NPSR1 (0.49) POLBLMNAMAPTMAPK1SMN1; 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
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 POLB 1580/4885LMNA 4104/4885MAPT 3561/4885

“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.