SCHEMBL29655839

SCHEMBL29655839

CC(C)C[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 10/20 0.63
▸ CTSL P07711 3/20 0.60
▸ CTSS P25774 3/20 0.60
▸ CTSK P43235 3/20 0.60
▸ CTSH P09668 1/20 0.60
▸ KEAP1 Q14145 1/20 0.57
▸ C5AR1 P21730 1/20 0.56
▸ KISS1R Q969F8 2/20 0.55
▸ NPY1R P25929 1/20 0.54
▸ NPY2R P49146 1/20 0.54
▸ NPY4R P50391 1/20 0.54
▸ NPY5R Q15761 1/20 0.54
▸ GLP1R P43220 1/20 0.54
▸ GCGR P47871 1/20 0.54
▸ GIPR P48546 1/20 0.54

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
SCHEMBL29655872 0.93 CXCR4 (0.67) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29913348 0.89 C5AR1 (0.58) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30607317 0.89 KEAP1 (0.67) CXCR4KEAP1C5AR1NPY1RNPY2R
SCHEMBL38663455 0.87 C5AR1 (0.63) CTSLCTSSCTSKCTSHKEAP1
SCHEMBL30631666 0.87 CTSL (0.62) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30609006 0.87 CTSL (0.64) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30609002 0.87 CTSL (0.64) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL31593288 0.87 C5AR1 (0.63) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30609010 0.87 CTSL (0.60) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30609016 0.87 CTSL (0.60) CXCR4CTSLCTSSCTSKCTSH

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 CXCR4 1077/4885CTSL 4268/4885CTSS 4159/4885

“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.

Send feedback