SCHEMBL2829137

SCHEMBL2829137

CCN(CC)CCCN(C(=O)c1ccccc1)c1nc(-c2cc(OC)ccc2OC)cs1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.77
MAPK1 P28482 1/20 0.77
ATM Q13315 1/20 0.77
KMT2A Q03164 9/20 0.68
RAD52 P43351 3/20 0.68
MEN1 O00255 5/20 0.65
L3MBTL1 Q9Y468 3/20 0.63
POLB P06746 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.61
KDM4E B2RXH2 3/20 0.61
HPGD P15428 2/20 0.61
HSD17B10 Q99714 1/20 0.61
ALDH1A1 P00352 3/20 0.58
MAPT P10636 2/20 0.57
APEX1 P27695 1/20 0.53
RXFP1 Q9HBX9 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
SCHEMBL2830954 0.91 TSHR (0.63) TSHRMAPK1ATMKMT2ARAD52
SCHEMBL2833510 0.88 KMT2A (0.77) TSHRMAPK1ATMKMT2ARAD52
SCHEMBL2826329 0.88 TSHR (0.72) TSHRMAPK1ATMKMT2ARAD52
SCHEMBL2828585 0.88 TSHR (0.76) TSHRMAPK1ATMKMT2ARAD52
SCHEMBL2829988 0.86 TSHR (0.81) TSHRMAPK1ATMKMT2ARAD52
SCHEMBL2826826 0.86 KMT2A (0.90) TSHRKMT2ARAD52MEN1L3MBTL1
SCHEMBL2827744 0.84 TSHR (0.57) TSHRMAPK1ATMKMT2ARAD52
SCHEMBL2826671 0.84 TSHR (0.57) TSHRMAPK1ATMKMT2ARAD52
SCHEMBL2826515 0.84 TSHR (0.57) TSHRMAPK1ATMKMT2ARAD52
SCHEMBL2833094 0.84 TSHR (0.57) TSHRMAPK1ATMKMT2ARAD52

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 TSHR 2723/4885MAPK1 3940/4885ATM 2640/4885

“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.