SCHEMBL18559347

SCHEMBL18559347

CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1cccc(C(=O)OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 1.00
▸ ALOX15 P16050 2/20 1.00
▸ TP53 P04637 1/20 1.00
▸ CASP1 P29466 1/20 1.00
▸ CASP7 P55210 1/20 1.00
▸ HSD17B10 Q99714 1/20 1.00
▸ L3MBTL1 Q9Y468 1/20 1.00
▸ MAPT P10636 6/20 0.68
▸ TSHR P16473 5/20 0.68
▸ MAPK1 P28482 2/20 0.62
▸ GAA P10253 1/20 0.62
▸ RECQL P46063 1/20 0.62
▸ ALDH1A1 P00352 3/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ CDC25A P30304 1/20 0.60
▸ CDC25B P30305 1/20 0.60
▸ POLB P06746 2/20 0.59
▸ MEN1 O00255 1/20 0.58
▸ SLC27A1 Q6PCB7 1/20 0.58

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
SCHEMBL4210220 0.84 TSHR (0.82) USP2ALOX15TP53CASP1CASP7
SCHEMBL15986511 0.82 L3MBTL1 (0.70) USP2ALOX15TP53CASP1CASP7
SCHEMBL18559263 0.81 MAPT (1.00) USP2ALOX15TP53CASP1CASP7
SCHEMBL4210314 0.79 TSHR (1.00) USP2ALOX15L3MBTL1MAPTTSHR
SCHEMBL4206912 0.77 TSHR (0.88) ALOX15L3MBTL1MAPTTSHRGAA
SCHEMBL15986422 0.77 MAPT (1.00) USP2ALOX15TP53CASP1CASP7
SCHEMBL18559249 0.77 MAPT (1.00) USP2ALOX15TP53CASP1CASP7
SCHEMBL19538808 0.75 TSHR (0.84) USP2ALOX15TP53CASP1CASP7
SCHEMBL4208973 0.75 CDC25A (0.77) USP2ALOX15TP53CASP1CASP7
SCHEMBL13832140 0.75 ALDH1A1 (0.67) USP2ALOX15TP53CASP1CASP7

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 6 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-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
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-9578881-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2017-02-28 — — 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 (5 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 USP2 2348/4885ALOX15 3068/4885TP53 4604/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 USP2 2256/4885ALOX15 3007/4885TP53 4651/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 USP2 2348/4885ALOX15 3068/4885TP53 4604/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 USP2 2329/4885ALOX15 2986/4885TP53 4649/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 USP2 2256/4885ALOX15 3007/4885TP53 4651/4885

“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.

Send feedback