SCHEMBL2830435

SCHEMBL2830435

COc1ccc(-c2csc(N(CCCN3CCCCC3)C(=O)c3cccs3)n2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.57
OPRM1 P35372 1/20 0.57
OPRD1 P41143 1/20 0.57
ALDH1A1 P00352 7/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
MAPT P10636 7/20 0.53
KDM4E B2RXH2 7/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAPK1 P28482 3/20 0.50
LMNA P02545 3/20 0.50
NPSR1 Q6W5P4 3/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
USP2 O75604 2/20 0.46
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.46
MCL1 Q07820 1/20 0.46

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
SCHEMBL2830285 0.94 TSHR (0.58) TSHROPRM1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL2830237 0.92 MAPT (0.60) TSHROPRM1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL2831270 0.89 TSHR (0.72) TSHROPRM1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL2826587 0.89 TSHR (0.72) TSHROPRM1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL2829972 0.89 MAPT (0.57) TSHROPRM1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL2830103 0.88 TSHR (0.73) TSHROPRM1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL2833300 0.87 TSHR (0.54) TSHROPRM1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL2830490 0.87 TSHR (0.63) TSHROPRM1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL2832243 0.87 TSHR (0.63) TSHROPRM1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL2830069 0.87 MAPT (0.54) TSHROPRM1OPRD1ALDH1A1SMN1; 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 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 2723/4885OPRM1 4348/4885OPRD1 4312/4885

“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.