SCHEMBL19002565

SCHEMBL19002565

CCC(=O)N1CCNC(c2cccc(Cl)c2)C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
GSK3B P49841 2/20 0.45
ADRA2C P18825 1/20 0.39
XIAP P98170 1/20 0.39
BIRC2 Q13490 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HSD11B1 P28845 1/20 0.38
HDAC2 Q92769 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.37
TSHR P16473 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL26870987 0.86 GSK3B (0.47) GSK3BALDH1A1HSD11B1HDAC2TSHR
SCHEMBL19002567 0.85 EPHX2 (0.45) EPHX2GSK3BXIAPALDH1A1
SCHEMBL28989617 0.85 GSK3B (0.45) GSK3BALDH1A1LMNAHSD11B1HDAC2
SCHEMBL19002561 0.85 EPHX2 (0.43) EPHX2GSK3BXIAPBIRC2LMNA
SCHEMBL19002456 0.84 BLM (0.47) EPHX2GSK3BALDH1A1LMNATMEM97
SCHEMBL19002465 0.83 KRAS (0.47) GSK3BBIRC2
SCHEMBL18997556 0.83 RIPK1 (0.48) GSK3BLMNAHSD11B1HDAC2
SCHEMBL23982238 0.80 STS (0.47) GSK3B
SCHEMBL30397321 0.80 STS (0.47) GSK3B
SCHEMBL19002566 0.78 EPHX2 (0.42) EPHX2BIRC2ALDH1A1LMNATSHR

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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 EPHX2 2625/4885GSK3B 294/4885ADRA2C 4307/4885

“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.