SCHEMBL880696

SCHEMBL880696

CC(C)(CCCS(=O)(=O)c1cccc([N+](=O)[O-])c1)[Si](C)(C)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
GAA P10253 2/20 0.47
HTT P42858 1/20 0.47
CA2 P00918 2/20 0.45
CA1 P00915 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
CA5A P35218 1/20 0.45
MEN1 O00255 1/20 0.44
ALOX5 P09917 1/20 0.43
F2 P00734 2/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
POLB P06746 1/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41

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
SCHEMBL880703 0.80 ALDH1A1 (0.43) CA2CA1F2PRSS1PRSS2
SCHEMBL4161667 0.78 KMT2A (0.58) KMT2AGAAHTTCA2CA1
SCHEMBL28121364 0.78 KMT2A (0.58) KMT2AGAAHTTCA2CA1
SCHEMBL27950143 0.77 KMT2A (0.70) KMT2AGAAHTTCA2CA1
SCHEMBL15272469 0.75 KMT2A (0.58) KMT2AGAAHTTCA2CA1
SCHEMBL681532 0.75 KMT2A (0.62) KMT2AGAAHTTCA2CA1
SCHEMBL854154 0.75 KMT2A (0.62) KMT2AGAAHTTCA2CA1
SCHEMBL861826 0.75 KMT2A (0.48) KMT2AGAAHTTCA2CA1
SCHEMBL2668038 0.75 TSHR (0.49) KMT2AHTTMEN1POLBLMNA
SCHEMBL2876686 0.73 KMT2A (0.68) KMT2AGAAHTTCA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901315-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 US disclosed
US-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
EP-2433943-A1 Thienopyrazole derivatives having PDE7 inhibitory activity Daiichi Sankyo Company, Limited (JP) 2012-03-28 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-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B KMT2A 3266/4885GAA 3005/4885HTT 2881/4885

“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.