SCHEMBL880694

SCHEMBL880694

CC(C)(CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)[Si](C)(C)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 1/20 0.53
RECQL P46063 1/20 0.53
HSD11B1 P28845 1/20 0.49
EPHX2 P34913 1/20 0.48
MAPT P10636 1/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
KCNH2 Q12809 1/20 0.45
HSP90AA1 P07900 1/20 0.45
KMT2A Q03164 1/20 0.45
ACHE P22303 1/20 0.44

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
SCHEMBL880692 0.84 MEN1 (0.53) SMN1; SMN2HSD11B1MAPTALDH1A1LMNA
SCHEMBL7133340 0.79 SMN1; SMN2 (0.60) SMN1; SMN2HTTRECQLHSD11B1EPHX2
SCHEMBL16912989 0.77 SMN1; SMN2 (0.62) SMN1; SMN2HTTRECQLHSD11B1EPHX2
SCHEMBL854322 0.76 SMN1; SMN2 (0.63) SMN1; SMN2HTTRECQLHSD11B1EPHX2
SCHEMBL854917 0.75 SMN1; SMN2 (0.57) SMN1; SMN2HTTRECQLHSD11B1EPHX2
SCHEMBL16912986 0.74 SMN1; SMN2 (0.64) SMN1; SMN2HTTRECQLHSD11B1EPHX2
SCHEMBL1866862 0.73 EPHX2 (0.61) SMN1; SMN2HTTRECQLEPHX2MAPT
SCHEMBL1519692 0.73 ALDH1A1 (0.69) SMN1; SMN2HTTRECQLHSD11B1ALDH1A1
SCHEMBL17007440 0.73 KDM4E (0.56) SMN1; SMN2HTTRECQLEPHX2ALDH1A1
SCHEMBL14055643 0.73 SMN1; SMN2 (0.63) SMN1; SMN2HTTRECQLHSD11B1EPHX2

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-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
US-7932250-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-26 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 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-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B SMN1; SMN2 4191/4885HTT 2881/4885RECQL 1036/4885
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity PDE7A, PDE7B, PDE3B SMN1; SMN2 4191/4885HTT 2881/4885RECQL 1036/4885

“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.