SCHEMBL13831007

SCHEMBL13831007

CN(C(=O)C(F)(F)Sc1nnc(-c2ccoc2)n1C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
GPR119 Q8TDV5 1/20 0.33
USP30 Q70CQ3 2/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.31
LIPE Q05469 1/20 0.31
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL13831525 0.90 USP30 (0.35) ALDH1A1USP30KMT2ATP53LIPE
SCHEMBL13831214 0.88 ALDH1A1 (0.37) ALDH1A1KMT2ATP53LIPEL3MBTL1
SCHEMBL13831837 0.86 ALDH1A1 (0.37) ALDH1A1KMT2AL3MBTL1
SCHEMBL20812611 0.86 ALDH1A1 (0.36) ALDH1A1KMT2ATP53LIPEL3MBTL1
SCHEMBL19160886 0.85 ALDH1A1 (0.39) ALDH1A1KMT2AGAAL3MBTL1
SCHEMBL13831216 0.84 ALDH1A1 (0.40) ALDH1A1KMT2ATP53GAAL3MBTL1
SCHEMBL13831659 0.84 TSHR (0.40) ALDH1A1GPR119KMT2AL3MBTL1
SCHEMBL13831863 0.84 GPR119 (0.33) ALDH1A1GPR119USP30LIPE
SCHEMBL13830767 0.82 ALDH1A1 (0.40) ALDH1A1KMT2AL3MBTL1
SCHEMBL13832053 0.81 RECQL (0.41) ALDH1A1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2704575-B1 COMPOSITION FOR INHIBITION OF INSECT SENSING UNIV VANDERBILT (US) 2020-06-03 EP disclosed
EP-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed
US-10188105-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2019-01-29 US disclosed
US-20170208809-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2017-07-27 US disclosed
US-20170208809-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2017-07-27 US disclosed
US-9578881-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2017-02-28 US disclosed
US-9578881-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2017-02-28 US disclosed
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2014-08-28 US disclosed
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2014-08-28 US disclosed
WO-2012154403-A9 COMPOSITIONS FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2013-01-03 WO disclosed
WO-2012154403-A2 COMPOSITION FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2012-11-15 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-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 ALDH1A1 3549/4885GPR119 450/4885USP30 2618/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885GPR119 354/4885USP30 2429/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885GPR119 354/4885USP30 2429/4885

“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.