SCHEMBL13166148

SCHEMBL13166148

CNC(=O)CN(CCN(CC(N)=O)CC(=O)O)CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
EYA2 O00167 1/20 0.52
APP P05067 1/20 0.52
ACE P12821 1/20 0.52
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
CHRM2 P08172 1/20 0.50
ADRA2A P08913 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
DRD1 P21728 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
CYP2C19 P33261 1/20 0.50
ADRA1A P35348 1/20 0.50
DRD3 P35462 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL9159118 0.90 TDP1 (0.64) TDP1EYA2APPACEKDM4E
SCHEMBL791382 0.90 TDP1 (0.64) TDP1EYA2APPACEKDM4E
Caldiamide SCHEMBL1114868 0.88 TDP1 (0.65) TDP1EYA2APPACEKDM4E
SCHEMBL18811949 0.88 TDP1 (0.65) TDP1EYA2APPACEKDM4E
SCHEMBL12153724 0.88 TDP1 (0.65) TDP1EYA2APPACEKDM4E
Caldiamide SCHEMBL27165225 0.86 TDP1 (0.62) TDP1EYA2APPACEKDM4E
Water SCHEMBL8533754 0.86 TDP1 (0.62) TDP1EYA2APPACEKDM4E
SCHEMBL16312954 0.85 TDP1 (0.32) TDP1EYA2APPACEKDM4E
SCHEMBL23316907 0.84 MCL1 (0.34) TDP1LMNAALOX15TSHRCYP2C19
SCHEMBL19841461 0.84 MCL1 (0.34) TDP1LMNAALOX15TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9770442-B2 Self-assembling amphiphilic polymers as anti-cancer agents ALLEXCEL INC. (US) 2017-09-26 US disclosed
US-20100239659-A1 SELF-ASSEMBLING AMPHIPHILIC POLYMERS AS ANTI-CANCER AGENTS ALLEXCEL., INC. (US) 2010-09-23 US disclosed
US-20100008938-A1 SELF ASSEMBLING AMPHIPHILIC POLYMERS AS ANTIVIRAL AGENTS ALLEXCEL, INC. 2010-01-14 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 (2 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-20100008938-A1 SELF ASSEMBLING AMPHIPHILIC POLYMERS AS ANTIVIRAL AGENTS PICALM, CLTA, HAVCR2 TDP1 2144/4885EYA2 4416/4885APP 886/4885
US-20100239659-A1 SELF-ASSEMBLING AMPHIPHILIC POLYMERS AS ANTI-CANCER AGENTS CD44, EPCAM, EGFR TDP1 3885/4885EYA2 4381/4885APP 1361/4885

“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.