SCHEMBL1435757

SCHEMBL1435757

Cc1nc(NCCNC(=O)OC(C)(C)C)sc1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 1/20 0.46
BCHE P06276 1/20 0.45
BRD4 O60885 1/20 0.42
MALT1 Q9UDY8 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LATS1 O95835 1/20 0.40
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40
SUV39H2 Q9H5I1 1/20 0.39
LCK P06239 4/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX1 P07099 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL28231770 0.80 HTT (0.45) BCHETDP1ALDH1A1STK17BSTK17A
SCHEMBL13326568 0.79 LCK (0.56) PI4KBLCKMEN1KMT2A
SCHEMBL15286164 0.77 PI4KB (0.50) PI4KBBCHEBRD4MALT1TDP1
SCHEMBL24271886 0.77 OPRM1 (0.43) TDP1MEN1GAAKMT2AHTT
SCHEMBL1981436 0.76 BCHE (0.58) BCHEBRD4MALT1ALDH1A1GAA
SCHEMBL7490071 0.75 CA1 (0.43) PI4KBBCHEBRD4MALT1TDP1
SCHEMBL12680401 0.75 BCHE (0.43) PI4KBBCHEBRD4MALT1TDP1
SCHEMBL7991074 0.75 BCHE (0.43) PI4KBBCHEBRD4MALT1TDP1
SCHEMBL15286504 0.74 MAPT (0.43) PI4KBBCHEBRD4MALT1TDP1
SCHEMBL26509996 0.73 PI4KB (0.47) PI4KBBCHEBRD4MALT1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1441719-B1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-30 EP disclosed
US-7803819-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US disclosed
US-7314884-B2 non-insulin dependent diabetes mellitus, and impaired glucose tolerance; dipeptidyl peptidase IV (DPP-IV) inhibitors eg (2S)-1-{[(1S)-2-(5-cyano-2-methyl-indol-1-yl)-1-methyl-ethylamino]-acetyl}-pyrrolidine-2-carbonitrile HOFFMANN-LA ROCHE INC. (US) 2008-01-01 US disclosed
US-20070259925-A1 DPP IV INHIBITORS BOEHRINGER MARKUS 2007-11-08 US disclosed
US-20050096348-A1 DPP IV inhibitors BOEHRINGER MARKUS (CH) 2005-05-05 US disclosed
US-6861440-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-03-01 US disclosed
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP disclosed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 US disclosed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 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 (3 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-20070259925-A1 DPP IV INHIBITORS DPP4, DPP3, DPP7 PI4KB 780/4885BCHE 1039/4885BRD4 2932/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 PI4KB 709/4885BCHE 1688/4885BRD4 3706/4885
US-20050096348-A1 DPP IV inhibitors DPP4, DPP3, DPP7 PI4KB 780/4885BCHE 1039/4885BRD4 2932/4885

“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.