SCHEMBL26510481

SCHEMBL26510481

CC(=O)NCCOCCn1cc(CNP(=O)(O)O)nn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.38
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
F2RL1 P55085 1/20 0.35
DGAT1 O75907 4/20 0.35
NOTUM Q6P988 1/20 0.34
DRD2 P14416 3/20 0.34
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
GLS O94925 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
GGPS1 O95749 1/20 0.33
LGALS3 P17931 1/20 0.33

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
SCHEMBL15096376 0.90 GBA1 (0.37) GBA1OPRM1OPRD1OPRK1F2RL1
SCHEMBL22396008 0.83 DGAT1 (0.37) GBA1OPRM1OPRD1OPRK1F2RL1
SCHEMBL16645298 0.83 GLS (0.42) GBA1F2RL1DGAT1NOTUMDRD2
SCHEMBL2358722 0.82 GBA1 (0.38) GBA1OPRM1OPRD1OPRK1F2RL1
SCHEMBL26770649 0.78 F2RL1 (0.40) OPRM1OPRD1OPRK1F2RL1DGAT1
SCHEMBL26701585 0.77 NOTUM (0.38) GBA1OPRM1OPRD1OPRK1DGAT1
SCHEMBL29324043 0.76 NOTUM (0.45) GBA1DGAT1NOTUMGLS
SCHEMBL22381488 0.76 NOTUM (0.41) GBA1DGAT1NOTUMMMP2MMP9
SCHEMBL22151451 0.76 DGAT1 (0.39) OPRM1OPRD1OPRK1F2RL1DGAT1
SCHEMBL22151452 0.76 DGAT1 (0.39) OPRM1OPRD1OPRK1F2RL1DGAT1

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-20230321226-A1 SYNTHETIC ARCHAEAL DIETHER LIPIDS APHP (ASSISTANCE PUBLIQUE - HÔPITAUX DE PARIS) (FR) 2023-10-12 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-20230321226-A1 SYNTHETIC ARCHAEAL DIETHER LIPIDS DDOST, ABHD16A, GMDS GBA1 57/4885OPRM1 4141/4885OPRD1 4144/4885

“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.