SCHEMBL2829678

SCHEMBL2829678

COc1ccc(OC)c(-c2csc(N(CCCN3CCCC3)C(=O)c3cccs3)n2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.64
ALDH1A1 P00352 5/20 0.64
KDM4E B2RXH2 5/20 0.64
L3MBTL1 Q9Y468 3/20 0.64
HPGD P15428 2/20 0.64
OPRM1 P35372 1/20 0.56
OPRD1 P41143 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPK1 P28482 2/20 0.54
ATM Q13315 1/20 0.54
MAPT P10636 6/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 1/20 0.49
APEX1 P27695 1/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL2832243 0.99 TSHR (0.63) TSHRALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL2830490 0.99 TSHR (0.63) TSHRALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL2831357 0.95 TSHR (0.64) TSHRALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL2830079 0.93 TSHR (0.63) TSHRALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL2827744 0.89 TSHR (0.57) TSHRALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL2826515 0.88 TSHR (0.57) TSHRALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL2826671 0.88 TSHR (0.57) TSHRALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL2830103 0.88 TSHR (0.73) TSHRALDH1A1KDM4EL3MBTL1OPRM1
SCHEMBL2831270 0.87 TSHR (0.72) TSHRALDH1A1KDM4EL3MBTL1OPRM1
SCHEMBL2826587 0.87 TSHR (0.72) TSHRALDH1A1KDM4EL3MBTL1OPRM1

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 2723/4885ALDH1A1 554/4885KDM4E 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.