SCHEMBL3607036

SCHEMBL3607036

CCOC(=O)C(CC(=O)CBr)C(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
TDP1 Q9NUW8 2/20 0.44
MMP8 P22894 2/20 0.43
PTPN1 P18031 1/20 0.43
GSK3B P49841 1/20 0.43
MDM2 Q00987 1/20 0.42
PIN1 Q13526 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
ALDH1A1 P00352 3/20 0.41
CPA1 P15085 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 2/20 0.40
PGR P06401 1/20 0.40
ADRA2A P08913 1/20 0.40

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
SCHEMBL23731908 0.88 KMT2A (0.54) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL8775304 0.84 KMT2A (0.57) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL3494511 0.83 KMT2A (0.55) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL4666968 0.83 MEN1 (0.55) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL973673 0.83 KMT2A (0.69) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL3589983 0.82 KMT2A (0.51) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL436607 0.82 TRPA1 (0.48) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL5450997 0.81 MEN1 (0.56) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL29114074 0.79 KMT2A (0.58) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL29270972 0.79 ALDH1A1 (0.48) KMT2AMEN1NPC1TDP1MMP8

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450352-B2 Thiazole compounds and their use for inhibiting phosphodiesterase 4, TNF-α, and IL-4 OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-05-28 US disclosed
US-20100094002-A1 Thiazole Compound and Use Thereof OTSUKA PHARMACEUTICAL CO., LTD. 2010-04-15 US disclosed
US-7655680-B2 (E)-3-[2-(3,4-diethoxyphenyl)thiazole-4-yl]-1-(2-methoxyphenyl)propenone; inhibiting the activity of phosphodiesterase 4, the production of tumor necrosis factor alpha, and the production of interleukin 4; atopic dermatitis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-02-02 US disclosed
US-20080039511-A1 Thiazole Compound and Use Thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 US disclosed
EP-1748044-A1 THIAZOLE COMPOUND AND USE THEREOF Otsuka Pharmaceutical Company, Limited (JP) 2007-01-31 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 (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-20100094002-A1 Thiazole Compound and Use Thereof PDE3B, IL4, PDE4A KMT2A 4633/4885MEN1 1975/4885NPC1 3259/4885
US-20080039511-A1 Thiazole Compound and Use Thereof PDE3B, PDE3A, PDE4A KMT2A 3873/4885MEN1 2252/4885NPC1 3187/4885

“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.