SCHEMBL5021849

SCHEMBL5021849

CC(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
ATM Q13315 1/20 0.40
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EPHX1 P07099 5/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL621014 0.87 TAS1R3 (0.38) TAS1R3TAS1R1ATMEPHX1CHRNB4
SCHEMBL18347952 0.87 TAS1R3 (0.38) TAS1R3TAS1R1ATMEPHX1CHRNB4
SCHEMBL24778822 0.86 MMP2 (0.53) TAS1R3TAS1R1ATMEPHX1
SCHEMBL16123028 0.85 TAS1R3 (0.44) TAS1R3TAS1R1ATMTSHRALDH1A1
SCHEMBL23479840 0.83 TAS1R3 (0.53) TAS1R3TAS1R1EPHX1SMN1; SMN2
SCHEMBL21100961 0.83 PTGS1 (0.38) TAS1R3TAS1R1ATMCHRNB4CHRNA3
SCHEMBL23479839 0.83 TAS1R3 (0.53) TAS1R3TAS1R1EPHX1SMN1; SMN2
SCHEMBL16373137 0.83 PTGS1 (0.38) TAS1R3TAS1R1ATMCHRNB4CHRNA3
SCHEMBL19755664 0.83 PTGS1 (0.38) TAS1R3TAS1R1ATMCHRNB4CHRNA3
SCHEMBL13380101 0.83 PTGS1 (0.38) TAS1R3TAS1R1ATMCHRNB4CHRNA3

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-8791092-B2 Molecular tweezers for the treatment of amyloid-related diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-07-29 US disclosed
US-20120108548-A1 MOLECULAR TWEEZERS FOR THE TREATMENT OF AMYLOID-RELATED DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-03 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-20120108548-A1 MOLECULAR TWEEZERS FOR THE TREATMENT OF AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 TAS1R3 3383/4885TAS1R1 3785/4885ATM 2075/4885

“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.