SCHEMBL18967940

SCHEMBL18967940

O=C(O)OCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.68
LMNA P02545 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
TGM2 P21980 1/20 0.64
KEAP1 Q14145 3/20 0.61
NFE2L2 Q16236 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.56
MAPT P10636 1/20 0.54
FOLH1 Q04609 3/20 0.54
DPP8 Q6V1X1 1/20 0.52
DPP7 Q9UHL4 1/20 0.52
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
SLC1A3 P43003 1/20 0.50
SLC1A1 P43005 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
SCHEMBL18254066 0.91 HTT (0.81) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL9340146 0.89 HTT (0.79) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL15346534 0.89 HTT (0.79) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL9874334 0.89 HTT (0.79) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL29087602 0.87 TGM2 (0.64) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL22300853 0.87 HTT (0.67) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL6645232 0.87 HTT (0.67) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL24990083 0.85 TGM2 (0.65) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL19957878 0.85 TGM2 (0.65) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL10828217 0.85 HTT (0.68) HTTLMNASMN1; SMN2TGM2KEAP1

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-20170165284-A1 SUBSTITUTED-6,8-DIOXABICYCLO[3.2.1]OCTANE-2,3-DIOL COMPOUNDS AS TARGETING AGENTS OF ASGPR PFIZER INC. (US) 2017-06-15 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-20170165284-A1 SUBSTITUTED-6,8-DIOXABICYCLO[3.2.1]OCTANE-2,3-DIOL COMPOUNDS AS TARGETING AGENTS OF ASGPR ASGR1, MRGPRX2, LDLR HTT 4515/4885LMNA 2872/4885SMN1; SMN2 3913/4885

“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.