SCHEMBL20161985

SCHEMBL20161985

C/C(=C\S)c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 11/20 0.51
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KCNE1 P15382 1/20 0.38
KCNQ1 P51787 1/20 0.38
KDM1A O60341 1/20 0.36
PTGS2 P35354 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.34
NOTUM Q6P988 1/20 0.34
PTGS1 P23219 1/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33
NR4A3 Q92570 1/20 0.33

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
SCHEMBL12291840 0.79 KIF11 (0.47) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL4023529 0.79 NR4A1 (0.59) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL2575608 0.79 NR4A1 (0.59) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL4023527 0.79 NR4A1 (0.59) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL313169 0.77 KIF11 (0.75) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL1474242 0.77 KIF11 (0.56) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL14099337 0.71 KIF11 (0.49) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL29620952 0.71 KIF11 (0.57) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL850429 0.71 KIF11 (0.57) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL19136587 0.70 KIF11 (0.57) KIF11KCNQ3KCNQ2KCNE1KCNQ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 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-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 KIF11 2259/4885KCNQ3 234/4885KCNQ2 247/4885

“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.