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Sugi Predict / Compounds / SCHEMBL29656083

SCHEMBL29656083

SCHEMBL29656083

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.61
▸ CXCR4 P61073 12/20 0.60
▸ MC4R P32245 2/20 0.56
▸ MC5R P33032 2/20 0.56
▸ MC3R P41968 2/20 0.56
▸ MC1R Q01726 2/20 0.56
▸ NPY1R P25929 1/20 0.56
▸ NPY2R P49146 1/20 0.56
▸ NPY4R P50391 1/20 0.56
▸ NPY5R Q15761 1/20 0.56
▸ KEAP1 Q14145 1/20 0.54
▸ NMUR2 Q9GZQ4 1/20 0.54
▸ NMUR1 Q9HB89 1/20 0.54
▸ KISS1R Q969F8 1/20 0.53

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
SCHEMBL29655888 0.96 CXCR4 (0.58) C5AR1CXCR4MC4RMC5RMC3R
SCHEMBL30974336 0.86 CXCR4 (0.69) C5AR1CXCR4NPY1RNPY2RNPY4R
SCHEMBL29428971 0.86 C5AR1 (0.66) C5AR1CXCR4MC4RMC5RMC3R
SCHEMBL30712904 0.86 CXCR4 (0.68) C5AR1CXCR4NPY1RNPY2RNPY4R
SCHEMBL30575503 0.86 C5AR1 (0.59) C5AR1CXCR4MC4RMC5RMC3R
SCHEMBL31462084 0.86 C5AR1 (0.59) C5AR1CXCR4MC4RMC5RMC3R
SCHEMBL31307240 0.85 CXCR4 (0.68) C5AR1CXCR4NPY1RNPY2RNPY4R
SCHEMBL29378658 0.85 CXCR4 (0.69) CXCR4NMUR2NMUR1KISS1R
SCHEMBL29924507 0.85 CXCR4 (0.57) C5AR1CXCR4NPY1RNPY2RNPY4R
SCHEMBL29883998 0.85 CXCR4 (0.61) CXCR4KEAP1

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 C5AR1 802/4885CXCR4 1077/4885MC4R 461/4885

“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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