SCHEMBL16638262

SCHEMBL16638262

CC(=O)[C@@H](C)CCCCNC(=O)CC[C@H](C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ LTA4H P09960 1/20 0.44
▸ CASP2 P42575 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ FOLH1 Q04609 1/20 0.39
▸ ALB P02768 2/20 0.39
▸ LMNA P02545 2/20 0.38
▸ ACE2 Q9BYF1 1/20 0.38
▸ NAAA Q02083 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TBXAS1 P24557 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ GABRR1 P24046 2/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ MMP12 P39900 1/20 0.36

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
SCHEMBL16947953 0.90 FOLH1 (0.48) FOLH1ALB
SCHEMBL16947836 0.90 FOLH1 (0.48) FOLH1ALB
SCHEMBL23974073 0.86 LTA4H (0.46) ALDH1A1CYP1A2LTA4HCASP2BLM
SCHEMBL15626856 0.84 ALB (0.54) ALDH1A1FOLH1ALBMMP2MMP9
SCHEMBL21242815 0.84 FOLH1 (0.41) ALDH1A1CYP1A2LTA4HCASP2FOLH1
SCHEMBL12413859 0.83 CYP1A2 (0.52) ALDH1A1CYP1A2LTA4HCASP2BLM
SCHEMBL19069567 0.83 CASP2 (0.59) ALDH1A1CYP1A2LTA4HCASP2BLM
SCHEMBL21242734 0.83 ALDH1A1 (0.38) ALDH1A1CYP1A2LTA4HCASP2FOLH1
SCHEMBL20055001 0.81 CASP2 (0.52) ALDH1A1CYP1A2CASP2ACE2NAAA
SCHEMBL16948010 0.81 ALDH1A1 (0.38) ALDH1A1CYP1A2LTA4HFOLH1ALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274801-A1 ACYLATED GLUCAGON ANALOGUES NOVO NORDISK AS (DK) 2015-10-01 — — US disclosed
US-20150210745-A1 Double-Acylated GLP-1 Derivatives with a Linker NOVO NORDISK AS (DK) 2015-07-30 — — US disclosed
US-9006178-B2 Double-acylated GLP-1 derivatives with a linker NOVO NORDISK A/S (DK) 2015-04-14 — — 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-20150210745-A1 Double-Acylated GLP-1 Derivatives with a Linker GLP1R, VIP, IAPP ALDH1A1 3185/4885CYP1A2 3742/4885LTA4H 3203/4885
US-20150274801-A1 ACYLATED GLUCAGON ANALOGUES GLP1R, GCG, IAPP ALDH1A1 3925/4885CYP1A2 3949/4885LTA4H 958/4885

“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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