SCHEMBL3201031

SCHEMBL3201031

COc1ccccc1-c1cccc(C(N)=O)c1-c1nccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
CTSA P10619 1/20 0.43
S1PR1 P21453 1/20 0.43
CDC7 O00311 1/20 0.42
ECE1 P42892 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
MAPK8 P45983 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ADRB2 P07550 1/20 0.41
RORC P51449 1/20 0.40
RORB Q92753 1/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
IKBKB O14920 1/20 0.39
SMPD3 Q9NY59 1/20 0.39
TUBB4A P04350 2/20 0.39

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
SCHEMBL3201006 0.92 PARP1 (0.47) PARP1CTSAS1PR1CDC7ECE1
SCHEMBL3201989 0.91 CTSA (0.45) PARP1CTSAS1PR1CDC7ECE1
SCHEMBL3201976 0.84 CTSA (0.45) PARP1CTSAS1PR1ECE1KEAP1
SCHEMBL3194083 0.81 IKBKB (0.40) CTSAS1PR1CDC7ECE1MAPK8
SCHEMBL30810276 0.80 PARP1 (0.45) PARP1KEAP1NFE2L2KDM4ENPC1
SCHEMBL19471179 0.79 ALOX15 (0.51) MAPK8KDM4ENPC1RAB9AIKBKB
SCHEMBL3201040 0.79 ECE1 (0.47) CTSAECE1MAPK8KDM4ENPC1
SCHEMBL17274991 0.78 MEN1 (0.48) CTSAKDM4ENPC1RAB9AADRB2
SCHEMBL30810193 0.78 HPGD (0.42) PARP1MAPK8NPC1RAB9A
SCHEMBL5608592 0.77 CHEK2 (0.46) PARP1CTSAKEAP1NFE2L2

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 PARP1 3969/4885CTSA 1692/4885S1PR1 4851/4885
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK PARP1 3969/4885CTSA 1692/4885S1PR1 4851/4885

“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.