SCHEMBL13831723

SCHEMBL13831723

CCn1c(SCC(=O)Nc2ccc(S(C)(=O)=O)cc2)nnc1-c1cccnc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.68
ALDH1A1 P00352 7/20 0.66
USP2 O75604 1/20 0.66
MAPK1 P28482 2/20 0.66
LMNA P02545 5/20 0.65
HTT P42858 1/20 0.65
KDM4E B2RXH2 2/20 0.63
RECQL P46063 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
MEN1 O00255 1/20 0.62
GAA P10253 1/20 0.62
MAPT P10636 2/20 0.60
CDC25A P30304 1/20 0.58
CDC25B P30305 1/20 0.58
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL13831796 0.91 KMT2A (0.64) KMT2AALDH1A1USP2MAPK1LMNA
SCHEMBL13832279 0.90 ALDH1A1 (0.73) KMT2AALDH1A1USP2MAPK1LMNA
SCHEMBL13737637 0.90 KMT2A (0.75) KMT2AALDH1A1USP2MAPK1LMNA
SCHEMBL13832009 0.89 KDM4E (0.72) KMT2AALDH1A1LMNAHTTKDM4E
SCHEMBL13739253 0.89 ALDH1A1 (0.74) KMT2AALDH1A1USP2MAPK1LMNA
SCHEMBL13737257 0.89 ALDH1A1 (0.70) KMT2AALDH1A1USP2MAPK1LMNA
SCHEMBL18559116 0.89 KMT2A (0.70) KMT2AALDH1A1USP2MAPK1LMNA
SCHEMBL13831729 0.88 ALDH1A1 (0.69) KMT2AALDH1A1USP2MAPK1LMNA
SCHEMBL13737457 0.88 KMT2A (0.69) KMT2AALDH1A1USP2MAPK1LMNA
SCHEMBL18556524 0.87 ALDH1A1 (0.65) KMT2AALDH1A1USP2MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230136150-A1 Compositions for Inhibition of Insect Sensing UNIV VANDERBILT (US) 2023-05-04 US disclosed
US-20230136150-A1 Compositions for Inhibition of Insect Sensing UNIV VANDERBILT (US) 2023-05-04 US disclosed
US-20210219551-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2021-07-22 US disclosed
US-10813355-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2020-10-27 US disclosed
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-20190075798-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2019-03-14 US 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 (7 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-20230136150-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 KMT2A 4200/4885ALDH1A1 3579/4885USP2 2348/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 KMT2A 4243/4885ALDH1A1 3568/4885USP2 2256/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 KMT2A 4216/4885ALDH1A1 3549/4885USP2 2433/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 KMT2A 4200/4885ALDH1A1 3579/4885USP2 2348/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 KMT2A 4264/4885ALDH1A1 3533/4885USP2 2329/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 KMT2A 4264/4885ALDH1A1 3533/4885USP2 2329/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 KMT2A 4243/4885ALDH1A1 3568/4885USP2 2256/4885

“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.