SCHEMBL5440342

SCHEMBL5440342

O=C(O)N(O)CCCN[C@H](CO)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.44
CCR3 P51677 1/20 0.41
RIPK1 Q13546 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAN2B1 O00754 3/20 0.39
MAN2A1 Q16706 3/20 0.39
MAN1B1 Q9UKM7 3/20 0.39
MAPK13 O15264 1/20 0.37
ROCK2 O75116 1/20 0.37
RPS6KA5 O75582 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
PRKCG P05129 1/20 0.37
CDK1 P06493 1/20 0.37
PRKACA P17612 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CDK2 P24941 1/20 0.37
MAPK1 P28482 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
SCHEMBL5439352 1.00 EPHX2 (0.44) EPHX2CCR3RIPK1ALDH1A1LMNA
SCHEMBL3357678 0.81 CYP3A4 (0.50) EPHX2ALDH1A1LMNA
SCHEMBL3357314 0.81 CYP3A4 (0.50) EPHX2ALDH1A1LMNA
SCHEMBL3354867 0.81 CYP3A4 (0.50) EPHX2ALDH1A1LMNA
SCHEMBL21490939 0.78 EPHX2 (0.48) EPHX2CCR3RIPK1MAN2B1MAN2A1
SCHEMBL21490940 0.78 EPHX2 (0.48) EPHX2CCR3RIPK1MAN2B1MAN2A1
SCHEMBL258306 0.77 MAN2A1 (0.49) EPHX2CCR3RIPK1ALDH1A1LMNA
Toluene SCHEMBL3905036 0.76 SCN8A (0.46) EPHX2ALDH1A1LMNA
Toluene SCHEMBL3903571 0.76 SCN8A (0.46) EPHX2ALDH1A1LMNA
Toluene SCHEMBL3915331 0.76 SCN8A (0.46) EPHX2ALDH1A1LMNA

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-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 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-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT EPHX2 636/4885CCR3 4057/4885RIPK1 4835/4885

“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.