SCHEMBL21138017

SCHEMBL21138017

CCCC(=O)N[C@H]1C(O)O[C@H](COC(=O)NCCCC(=O)O)[C@@H](O)C1O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PYGB P11216 1/20 0.38
▸ EPHX2 P34913 2/20 0.36
▸ PRKACA P17612 2/20 0.36
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ADORA1 P30542 2/20 0.34
▸ TLR4 O00206 2/20 0.34
▸ ACHE P22303 2/20 0.33
▸ AMDHD2 Q9Y303 1/20 0.33
▸ HK1 P19367 1/20 0.33
▸ HK2 P52789 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PLA2G4A P47712 1/20 0.32

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
SCHEMBL21058398 1.00 PYGB (0.38) PYGBEPHX2PRKACAHTTKMT2A
SCHEMBL25957526 0.86 PYGB (0.36) PYGBPRKACAADORA1TLR4ACHE
SCHEMBL25835148 0.86 PYGB (0.36) PYGBPRKACAADORA1TLR4ACHE
SCHEMBL21138643 0.84 PYGB (0.39) PYGBTLR4AMDHD2HK1HK2
SCHEMBL21058358 0.84 TLR4 (0.42) PYGBTLR4
SCHEMBL21137986 0.83 PYGB (0.41) PYGBTLR4AMDHD2HK1HK2
SCHEMBL21138004 0.83 MEN1 (0.36) PYGBKMT2ATLR4
SCHEMBL23104926 0.82 PYGB (0.39) PYGBTLR4AMDHD2HK1HK2
SCHEMBL21137933 0.82 PYGB (0.39) PYGBTLR4AMDHD2HK1HK2
SCHEMBL21137932 0.82 PYGB (0.39) PYGBTLR4AMDHD2HK1HK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227488-A1 GLUCOSAMINE DERIVATIVES AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2023-07-20 — — US disclosed
US-11591358-B2 Glucosamine derivatives and pharmaceutical uses thereof Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-02-28 — — US disclosed
US-20190185502-A1 GLUCOSAMINE DERIVATIVES AND PHARMACEUTICAL USES THEREOF RISEN (SUZHOU) PHARMA TECH CO, LTD. (CN) 2019-06-20 — — 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 (3 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-20230227488-A1 GLUCOSAMINE DERIVATIVES AND PHARMACEUTICAL USES THEREOF OGT, UGGT1, GLA PYGB 601/4885EPHX2 3428/4885PRKACA 3153/4885
US-20190185502-A1 GLUCOSAMINE DERIVATIVES AND PHARMACEUTICAL USES THEREOF OGT, UGGT1, GLA PYGB 601/4885EPHX2 3428/4885PRKACA 3153/4885
US-11591358-B2 Glucosamine derivatives and pharmaceutical uses thereof OGT, UGGT1, GLA PYGB 601/4885EPHX2 3428/4885PRKACA 3153/4885

“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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