SCHEMBL16298087

SCHEMBL16298087

O=C(NCCC[C@H](I)C(=O)O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.63
▸ LMNA P02545 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ FOLH1 Q04609 5/20 0.57
▸ TGM2 P21980 1/20 0.56
▸ SLC1A3 P43003 1/20 0.56
▸ SLC1A1 P43005 1/20 0.56
▸ KEAP1 Q14145 2/20 0.55
▸ NFE2L2 Q16236 2/20 0.55
▸ MMP2 P08253 1/20 0.54
▸ MMP9 P14780 1/20 0.54
▸ DPP8 Q6V1X1 1/20 0.52
▸ DPP7 Q9UHL4 1/20 0.52

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
SCHEMBL25413770 0.87 HTT (0.68) HTTLMNASMN1; SMN2FOLH1TGM2
SCHEMBL8205371 0.86 HTT (0.67) HTTLMNASMN1; SMN2FOLH1TGM2
SCHEMBL2139876 0.84 HTT (0.65) HTTLMNASMN1; SMN2FOLH1TGM2
SCHEMBL2139878 0.84 HTT (0.65) HTTLMNASMN1; SMN2FOLH1TGM2
SCHEMBL11317170 0.84 HTT (0.65) HTTLMNASMN1; SMN2FOLH1TGM2
SCHEMBL6605706 0.84 HTT (0.68) HTTLMNASMN1; SMN2FOLH1TGM2
SCHEMBL18254066 0.83 HTT (0.81) HTTLMNASMN1; SMN2FOLH1TGM2
SCHEMBL8437001 0.83 HTT (0.63) HTTLMNASMN1; SMN2FOLH1TGM2
SCHEMBL15697210 0.83 HTT (0.63) HTTLMNASMN1; SMN2FOLH1TGM2
SCHEMBL2037306 0.83 SLC1A3 (0.70) HTTLMNASMN1; SMN2FOLH1TGM2

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-20060039861-A1 Peptide-based multimeric targeted contrast agents EPIX MEDICAL, INC., A DELAWARE CORPORATION 2006-02-23 — — 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-20060039861-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA HTT 1061/4885LMNA 3453/4885SMN1; SMN2 2475/4885

“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.

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