SCHEMBL3516019

SCHEMBL3516019

CCN(CC)CCNC(=O)c1ccc(-c2ccc(C=C3SC(=S)NC3=O)o2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.64
HSPE1 P61604 1/20 0.64
IGF1R P08069 4/20 0.63
INSR P06213 2/20 0.63
PIK3CG P48736 4/20 0.52
MYC P01106 1/20 0.51
CDK2 P24941 3/20 0.49
IKBKB O14920 1/20 0.46
PTP4A3 O75365 1/20 0.46
PIK3CA P42336 1/20 0.46
STAT3 P40763 1/20 0.46
GSK3B P49841 1/20 0.45
SIRT2 Q8IXJ6 2/20 0.45
SLC22A2 O15244 1/20 0.43
SLC22A1 O15245 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
ACHE P22303 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL12989676 1.00 HSPD1 (0.64) HSPD1HSPE1IGF1RINSRPIK3CG
SCHEMBL3516014 1.00 HSPD1 (0.64) HSPD1HSPE1IGF1RINSRPIK3CG
SCHEMBL12990166 0.86 TTR (0.55) HSPD1HSPE1IGF1RINSRPIK3CG
SCHEMBL3364823 0.86 TTR (0.55) HSPD1HSPE1IGF1RINSRPIK3CG
SCHEMBL3364826 0.86 TTR (0.55) HSPD1HSPE1IGF1RINSRPIK3CG
SCHEMBL3364737 0.86 MEN1 (0.55) HSPD1HSPE1IGF1RINSRPIK3CG
SCHEMBL3364742 0.86 MEN1 (0.55) HSPD1HSPE1IGF1RINSRPIK3CG
SCHEMBL12990163 0.86 MEN1 (0.55) HSPD1HSPE1IGF1RINSRPIK3CG
SCHEMBL13002910 0.79 MYC (0.46) HSPD1HSPE1IGF1RINSRMYC
SCHEMBL3392771 0.79 HSPD1 (0.57) HSPD1HSPE1IGF1RINSRPIK3CG

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-20100331315-A1 RHODANINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS SENHWA BIOSCIENCES, INC. (TW) 2010-12-30 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-20100331315-A1 RHODANINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS PIM2, PIM1, CDK2 HSPD1 1307/4885HSPE1 1252/4885IGF1R 522/4885

“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.