SCHEMBL2830347

SCHEMBL2830347

COc1ccc(OC)c(-c2csc(N(CCCN3CCOCC3)C(=O)c3ccco3)n2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.78
MAPT P10636 4/20 0.78
LMNA P02545 2/20 0.78
TSHR P16473 8/20 0.75
KDM4E B2RXH2 5/20 0.75
SMN1; SMN2 Q16637 4/20 0.75
HSD17B10 Q99714 2/20 0.75
HPGD P15428 2/20 0.75
ALDH1A1 P00352 2/20 0.67
APEX1 P27695 1/20 0.67
USP2 O75604 3/20 0.67
NPSR1 Q6W5P4 2/20 0.67
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
RXFP1 Q9HBX9 1/20 0.63
L3MBTL1 Q9Y468 3/20 0.55
REV1 Q9UBZ9 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ATM Q13315 1/20 0.51

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
SCHEMBL2829557 0.94 TSHR (0.77) MAPK1MAPTLMNATSHRKDM4E
SCHEMBL2830296 0.93 TSHR (0.76) MAPK1MAPTLMNATSHRKDM4E
SCHEMBL2826713 0.93 TSHR (0.76) MAPK1MAPTLMNATSHRKDM4E
SCHEMBL2827006 0.93 TSHR (0.76) MAPK1MAPTLMNATSHRKDM4E
SCHEMBL2826449 0.88 MAPK1 (0.98) MAPK1MAPTLMNATSHRKDM4E
SCHEMBL2829425 0.88 MAPT (0.80) MAPK1MAPTLMNATSHRKDM4E
SCHEMBL2830079 0.87 TSHR (0.63) MAPK1MAPTLMNATSHRKDM4E
SCHEMBL2829988 0.84 TSHR (0.81) MAPK1MAPTLMNATSHRKDM4E
SCHEMBL2827583 0.82 MAPK1 (0.86) MAPK1MAPTLMNATSHRKDM4E
SCHEMBL2828628 0.81 TSHR (0.84) MAPK1MAPTLMNATSHRKDM4E

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.