SCHEMBL25957856

SCHEMBL25957856

CCCC(=O)N[C@H]1C(C)O[C@H](COC(=O)C(C)c2ccc(CCC)cc2)[C@@H](O)[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 2/20 0.34
▸ PYGB P11216 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ACACA Q13085 1/20 0.33
▸ SSTR2 P30874 3/20 0.32
▸ SSTR3 P32745 3/20 0.32
▸ SSTR5 P35346 3/20 0.32
▸ SSTR1 P30872 1/20 0.32
▸ SSTR4 P31391 1/20 0.32
▸ SLC2A1 P11166 1/20 0.32
▸ PTGS2 P35354 3/20 0.32
▸ SLC5A1 P13866 1/20 0.32
▸ SLC5A2 P31639 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.31
▸ TAS1R1 Q7RTX1 1/20 0.31
▸ PTGS1 P23219 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ALB P02768 1/20 0.31
▸ ESR1 P03372 1/20 0.31

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
SCHEMBL21138772 0.92 PTGS2 (0.42) PTGS2PTGS1LMNAALBESR1
SCHEMBL25957461 0.91 SLC2A1 (0.36) ACACBPYGBALDH1A1SMN1; SMN2ACACA
SCHEMBL21058347 0.83 PTGS2 (0.43) PTGS2PTGS1LMNAALBESR1
SCHEMBL21137906 0.77 PYGB (0.44) PYGBALDH1A1SLC2A1
SCHEMBL21137981 0.77 PYGB (0.38) PYGBALDH1A1SMN1; SMN2PTGS2SLC5A1
SCHEMBL25835269 0.77 PYGB (0.38) PYGBALDH1A1SMN1; SMN2PTGS2SLC5A1
SCHEMBL21138213 0.74 LMNA (0.37) PYGBALDH1A1SMN1; SMN2SSTR2SSTR3
SCHEMBL25957583 0.73 PTGS2 (0.37) PTGS2PTGS1LMNAALBESR1
SCHEMBL21137875 0.73 PYGB (0.40) PYGB
SCHEMBL21137914 0.73 PYGB (0.35) PYGBSSTR5SSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718636-B2 Glucosamine derivatives for the prevention or treatment of joint disorders Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-08-08 — — 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-11718636-B2 Glucosamine derivatives for the prevention or treatment of joint disorders OGT, UGGT1, GLA ACACB 739/4885PYGB 760/4885ALDH1A1 1901/4885

“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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