SCHEMBL3298698

SCHEMBL3298698

CC(C)(C)[Si](C)(C)OCCNc1ccc(Br)nc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
DGAT1 O75907 1/20 0.32
DUT P33316 2/20 0.32
CYP26A1 O43174 2/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
EDNRA P25101 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH3 Q9ULD8 1/20 0.31
ALOX5AP P20292 1/20 0.30

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
SCHEMBL25251914 0.92 DUT (0.35) FDFT1CA12CA1CA2CA9
SCHEMBL16053841 0.83 CA12 (0.38) CA12CA1CA2CA9CA14
SCHEMBL2523541 0.82 ALDH1A1 (0.41) CA12CA1CA2CA9CA14
SCHEMBL25298229 0.79 KCNH3 (0.48) FDFT1KDM4EALDH1A1KCNH3
SCHEMBL16531995 0.76 CA12 (0.33) CA12CA1CA2CA9CA14
SCHEMBL848697 0.76 MAPT (0.43) KDM4EALDH1A1
SCHEMBL1023793 0.76 APP (0.37) CA12CA1CA2CA9CA14
SCHEMBL1424999 0.76 MAPT (0.34) CA12CA1CA2CA9CA14
SCHEMBL15919355 0.76 MAPT (0.34) CA12CA1CA2CA9CA14
SCHEMBL2599179 0.75 MAPT (0.44) DUTALDH1A1KCNH3

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
EP-2121600-B1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2012-07-18 EP disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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 (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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 FDFT1 3135/4885CA12 4412/4885CA1 3711/4885

“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.