SCHEMBL558297

SCHEMBL558297

NCC(=O)OC(=O)/C=C\C(=O)OC(=O)CN

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
GLRA1 P23415 1/20 0.33
SLC6A9 P48067 1/20 0.33
OR51E2 Q9H255 1/20 0.33
ATM Q13315 1/20 0.31
GABRR1 P24046 2/20 0.31
GABRR2 P28476 2/20 0.31
BLM P54132 2/20 0.31
LMNA P02545 2/20 0.31
GABRR3 A8MPY1 1/20 0.31
TSHR P16473 1/20 0.31
APEX1 P27695 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL4204455 1.00 HCAR2 (0.35) HCAR2KEAP1NFE2L2GLRA1SLC6A9
SCHEMBL558370 0.91
SCHEMBL10602462 0.91 HCAR2 (0.45) HCAR2GLRA1SLC6A9OR51E2GABRR1
SCHEMBL10602450 0.91 HCAR2 (0.45) HCAR2GLRA1SLC6A9OR51E2GABRR1
SCHEMBL28548482 0.85 GSTP1 (0.31) LMNAKDM4E
SCHEMBL4587745 0.79
SCHEMBL288431 0.78
Potassium SCHEMBL31261840 0.77 TSHR (0.38) TSHR
SCHEMBL6753492 0.76 GLRA1 (0.41) GLRA1SLC6A9OR51E2GABRR1LMNA
SCHEMBL6258848 0.76 GLRA1 (0.41) GLRA1SLC6A9OR51E2GABRR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10357533-B2 Drug for the effective control of acute and or chronic pain and a method for its administration PVP LaBs PTE, Ltd. (SG) 2019-07-23 US claimed
US-20190225587-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES ESANEX, INC. 2019-07-25 US disclosed
US-20120035320-A1 POLYACRIDINE NUCLEIC ACID DELIVERY PEPTIDE COMPLEXES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2012-02-09 US disclosed
US-3954858-A Novel sequestrant builders and method of making the same LEVER BROTHERS COMPANY (US) 1976-05-04 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-20120035320-A1 POLYACRIDINE NUCLEIC ACID DELIVERY PEPTIDE COMPLEXES NUP205, PABPC1, SARNP HCAR2 3108/4885KEAP1 2990/4885NFE2L2 3466/4885
US-20190225587-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES IDO2, MKI67, IDO1 HCAR2 493/4885KEAP1 1087/4885NFE2L2 118/4885

“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.