SCHEMBL3393014

SCHEMBL3393014

CCOC(=O)c1ccc(-c2cc3ccccc3s2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.53
JAK3 P52333 1/20 0.53
CDC25B P30305 3/20 0.47
FOS P01100 1/20 0.46
JUN P05412 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CNR2 P34972 1/20 0.46
TSHR P16473 1/20 0.45
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44

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
SCHEMBL15028923 0.87 JAK2 (0.56) JAK2JAK3CDC25BFOSJUN
SCHEMBL13302174 0.86 SLC6A3 (0.46) JAK2JAK3CNR2ALDH1A1MAPT
SCHEMBL25744704 0.83 JAK2 (0.51) JAK2JAK3CDC25BFOSJUN
SCHEMBL15025443 0.82 JAK2 (0.53) JAK2JAK3CDC25BFOSJUN
SCHEMBL31536360 0.80 JAK2 (0.50) JAK2JAK3CDC25BFOSJUN
SCHEMBL13302173 0.80 CA12 (0.54) CNR2KMT2A
SCHEMBL2569253 0.78 TSHR (0.73) CDC25BTSHRALDH1A1MAPTCDC25A
SCHEMBL29671336 0.78 TSHR (0.73) CDC25BTSHRALDH1A1MAPTCDC25A
SCHEMBL15028922 0.77 TSHR (0.47) JAK2JAK3CDC25BFOSJUN
SCHEMBL31312768 0.77 JAK2 (0.52) JAK2JAK3FOSJUNNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362066-B2 Compounds and methods for treating protein folding disorders TREVENTIS CORPORATION (US) 2013-01-29 US disclosed
US-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2010-06-10 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-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS SNCA, MAPT, APP JAK2 3842/4885JAK3 3075/4885CDC25B 4563/4885

“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.