SCHEMBL29683965

SCHEMBL29683965

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 6/20 0.50
▸ OPRD1 P41143 4/20 0.50
▸ CCKAR P32238 3/20 0.50
▸ MMP1 P03956 1/20 0.50
▸ MMP3 P08254 1/20 0.50
▸ MMP9 P14780 1/20 0.50
▸ CA1 P00915 3/20 0.49
▸ CA2 P00918 3/20 0.49
▸ PAX8 Q06710 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ SUCNR1 Q9BXA5 5/20 0.48

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
SCHEMBL17254230 0.92 PAX8 (0.53) MMP1MMP3MMP9CA1CA2
SCHEMBL17232586 0.92 PAX8 (0.53) MMP1MMP3MMP9CA1CA2
SCHEMBL22343025 0.89 PAX8 (0.48) CCKBROPRD1CCKARMMP1MMP3
SCHEMBL13956678 0.89 PAX8 (0.52) MMP1MMP3MMP9CA1CA2
SCHEMBL21981319 0.88 REN (0.53) MMP1MMP3MMP9PAX8TDP1
SCHEMBL21981320 0.88 REN (0.53) MMP1MMP3MMP9PAX8TDP1
SCHEMBL17553458 0.88 PAX8 (0.52) CCKBRMMP1MMP3MMP9CA1
SCHEMBL1755615 0.88 TDP1 (0.61) MMP1MMP3MMP9CA1CA2
SCHEMBL17254256 0.87 TDP1 (0.56) MMP1MMP3MMP9CA1CA2
SCHEMBL23352495 0.86 REN (0.56) PAX8TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11993629-B2 Method for producing peptide compound NISSAN CHEMICAL CORPORATION (JP) 2024-05-28 — — US disclosed
US-20220106355-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND NISSAN CHEMICAL CORPORATION (JP) 2022-04-07 — — 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-11993629-B2 Method for producing peptide compound VIP, NGLY1, IAPP CCKBR 13/4885OPRD1 2975/4885CCKAR 50/4885
US-20220106355-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND VIP, NGLY1, IAPP CCKBR 13/4885OPRD1 2975/4885CCKAR 50/4885

“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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