SCHEMBL3202002

SCHEMBL3202002

COc1cc(C(N)=O)c(-c2nccs2)c(-c2ccccc2)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
IKBKB O14920 1/20 0.44
SMPD3 Q9NY59 1/20 0.43
BRD4 O60885 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ECE1 P42892 1/20 0.43
TUBB4A P04350 4/20 0.42
TUBB P07437 4/20 0.42
TUBA3C P0DPH7 4/20 0.42
TUBA1B P68363 4/20 0.42
TUBA4A P68366 4/20 0.42
TUBB4B P68371 4/20 0.42
TUBB3 Q13509 4/20 0.42
TUBB2A Q13885 4/20 0.42
TUBB8 Q3ZCM7 4/20 0.42
TUBA3E Q6PEY2 4/20 0.42
TUBA1A Q71U36 4/20 0.42
TUBA1C Q9BQE3 4/20 0.42
TUBB6 Q9BUF5 4/20 0.42

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
SCHEMBL3201040 0.86 ECE1 (0.47) SMPD3MAPTSMN1; SMN2ECE1NPC1
SCHEMBL3201989 0.75 CTSA (0.45) TSHRSMPD3MAPTECE1TUBB4A
SCHEMBL3194068 0.75 PDPK1 (0.41) TSHRIKBKBSMPD3ECE1NPC1
SCHEMBL3201031 0.74 PARP1 (0.46) IKBKBSMPD3ECE1TUBB4ATUBB
SCHEMBL3194094 0.74 PDPK1 (0.42) TSHRSMPD3ECE1NPC1RAB9A
SCHEMBL1308186 0.73 TUBB4A (0.55) SMPD3BRD4MAPTSMN1; SMN2TUBB4A
SCHEMBL3201006 0.73 PARP1 (0.47) IKBKBSMPD3ECE1TUBB4ATUBB
SCHEMBL3201976 0.73 CTSA (0.45) TSHRSMPD3MAPTECE1TUBB4A
SCHEMBL12503022 0.72 PDPK1 (0.43) PTGDR2ALDH1A1PDPK1
SCHEMBL9765827 0.72 MAPT (0.49) IKBKBMAPTSMN1; SMN2TUBB4ATUBB

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 4 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 disclosed
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 disclosed
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 disclosed
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof SQUARE 1 BANK 2006-03-09 US 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 (2 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 2723/4885IKBKB 3421/4885SMPD3 2363/4885
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK TSHR 2723/4885IKBKB 3421/4885SMPD3 2363/4885

“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.