SCHEMBL3288679

SCHEMBL3288679

CC(C)(C)[Si](OCCCN1Cc2ccccc2NS1(=O)=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.36
DUT P33316 1/20 0.34
CYP3A4 P08684 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31

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
SCHEMBL8318351 0.75 PSEN1 (0.47) SLC6A2SLC6A4S1PR4S1PR1S1PR3
SCHEMBL3286860 0.72 MMP13 (0.38) SMN1; SMN2SLC6A2SLC6A4BRD4CREBBP
SCHEMBL28735726 0.69 HRH3 (0.48) SMN1; SMN2
SCHEMBL4266551 0.68 SMYD2 (0.38) SMYD2DUTCYP3A4HTTSMN1; SMN2
SCHEMBL15566115 0.67 SMYD2 (0.37) SMYD2DUTCYP3A4HTTSMN1; SMN2
SCHEMBL8422084 0.67 SMYD2 (0.40) SMYD2DUTCYP3A4HTTSMN1; SMN2
SCHEMBL2508018 0.66 SMYD2 (0.39) SMYD2DUTCYP3A4HTTSMN1; SMN2
SCHEMBL702653 0.66 LTA4H (0.42) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL12988701 0.66 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL5030590 0.66 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2

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-7718652-B2 Substituted benzothiadiazinedioxide derivatives and methods of their use WYETH LLC (US) 2010-05-18 US disclosed
US-20080161295-A1 SUBSTITUTED BENZOTHIADIAZINEDIOXIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 US disclosed
WO-2008073958-A2 SUBSTITUTED BENZOTHIADIAZINEDIOXIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 WO 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-20080161295-A1 SUBSTITUTED BENZOTHIADIAZINEDIOXIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A2, SLC6A4, DBH SMYD2 1029/4885DUT 1945/4885CYP3A4 676/4885

“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.