SCHEMBL29655860

SCHEMBL29655860

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN)[C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 18/20 0.52
▸ NTSR2 O95665 17/20 0.52
▸ SORT1 Q99523 15/20 0.52
▸ CAPN1 P07384 2/20 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
SCHEMBL29655911 0.94 GLP1R (0.48) NTSR1NTSR2SORT1
SCHEMBL30512644 0.89 NTSR1 (0.56) NTSR1NTSR2SORT1
SCHEMBL31179920 0.85 NTSR1 (0.51) NTSR1NTSR2SORT1
SCHEMBL29362259 0.85 NPY2R (0.47) NTSR1NTSR2SORT1
SCHEMBL30280345 0.84 NPY2R (0.53) NTSR1NTSR2SORT1
SCHEMBL29805251 0.84 NPY2R (0.47) NTSR1NTSR2SORT1
SCHEMBL30512495 0.84 NTSR1 (0.55) NTSR1NTSR2SORT1
SCHEMBL31295889 0.83 NTSR1 (0.61) NTSR1NTSR2SORT1
SCHEMBL29470909 0.83 CAPN1 (0.44) CAPN1
SCHEMBL29959462 0.82 NTSR2 (0.51) NTSR1NTSR2SORT1CAPN1

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-11344548-B2 Analogs of 3,5-dihydroxypentanoate for bone formation KAOHSIUNG MEDICAL UNIVERSITY (TW) 2022-05-31 — — US claimed
US-11344548-B2 Analogs of 3,5-dihydroxypentanoate for bone formation KAOHSIUNG MEDICAL UNIVERSITY (TW) 2022-05-31 — — 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-11344548-B2 Analogs of 3,5-dihydroxypentanoate for bone formation CYP24A1, CYP27B1, CYP2R1 NTSR1 1564/4885NTSR2 1678/4885SORT1 3598/4885

“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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