SCHEMBL29641709

SCHEMBL29641709

NCCCC[C@@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(O)c(I)c1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.52
▸ MMP2 P08253 1/20 0.49
▸ ALB P02768 9/20 0.48
▸ IL2 P60568 9/20 0.48
▸ NPY1R P25929 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ NPY4R P50391 1/20 0.47
▸ TNF P01375 2/20 0.47
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ CHRNA1 P02708 1/20 0.46
▸ CHRNG P07510 1/20 0.46
▸ CHRNB1 P11230 1/20 0.46
▸ CHRND Q07001 1/20 0.46

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
SCHEMBL29465522 0.93 ERAP2 (0.53) FOLH1ALBIL2TNF
SCHEMBL29689355 0.87 MMP2 (0.62) MMP2NPY1RNPY2RNPY4RITGB3
SCHEMBL29539550 0.87 MMP2 (0.62) MMP2NPY1RNPY2RNPY4RITGB3
SCHEMBL29531290 0.87 MMP2 (0.62) MMP2NPY1RNPY2RNPY4RITGB3
SCHEMBL29376846 0.87 MMP2 (0.62) MMP2NPY1RNPY2RNPY4RITGB3
Lysylphenylalanyltyrosine SCHEMBL14583994 0.87 NPY1R (0.60) MMP2NPY1RNPY2RNPY4RCHRNA1
Lysylphenylalanyltyrosine SCHEMBL4283579 0.87 NPY1R (0.60) MMP2NPY1RNPY2RNPY4RCHRNA1
Lysylphenylalanyltyrosine SCHEMBL30179304 0.87 NPY1R (0.60) MMP2NPY1RNPY2RNPY4RCHRNA1
SCHEMBL30179482 0.87 NPY1R (0.60) MMP2NPY1RNPY2RNPY4RCHRNA1
Lysylphenylalanyltyrosine SCHEMBL4283566 0.87 NPY1R (0.60) MMP2NPY1RNPY2RNPY4RCHRNA1

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-20240067599-A1 IODOTYROSINE DERIVATIVES AND PROCESS FOR PREPARING IODOTYROSINE DERIVATIVES ABX ADVANCED BIOCHEMICAL COMPOUNDS - BIOMEDIZINISCHE FORSCHUNGSREAGENZIEN GMBH (DE) 2024-02-29 — — US disclosed
EP-4255885-A1 IODOTYROSINE DERIVATIVES AND PROCESS FOR PREPARING IODOTYROSINE DERIVATIVES ABX Advanced Biochemical Compounds GmbH (DE) 2023-10-11 — — EP disclosed
EP-4008713-A1 IODINE TYROSINE DERIVATIVES AND METHOD FOR THE PREPARATION OF IODINE TYROSINE DERIVATIVES ABX Advanced Biochemical Compounds GmbH (DE) 2022-06-08 — — EP 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-20240067599-A1 IODOTYROSINE DERIVATIVES AND PROCESS FOR PREPARING IODOTYROSINE DERIVATIVES ALK, ALKBH3, INSR FOLH1 4150/4885MMP2 3322/4885ALB 1640/4885

“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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