SCHEMBL23104565

SCHEMBL23104565

CCCC(O)N[C@H]1C(O)O[C@H](COC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](O)[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.42
▸ SLC7A5 Q01650 1/20 0.42
▸ HARS1 P12081 1/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.36
▸ NLN Q9BYT8 2/20 0.35

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
SCHEMBL21137858 0.85 CYP3A4 (0.42) CYP3A4SLC7A5HARS1HRH3NLN
SCHEMBL23104578 0.81 AMDHD2 (0.35) —
SCHEMBL6436202 0.69 CYP3A4 (0.61) CYP3A4SLC7A5HRH3
SCHEMBL3393715 0.69 CYP3A4 (0.65) CYP3A4SLC7A5HRH3
SCHEMBL93943 0.69 CYP3A4 (0.65) CYP3A4SLC7A5HRH3
SCHEMBL1000946 0.69 CDK1 (0.51) CYP3A4SLC7A5HARS1
Hydrochloric Acid SCHEMBL28535120 0.68 CYP3A4 (0.63) CYP3A4SLC7A5HRH3
Hydrochloric Acid SCHEMBL5491525 0.68 CYP3A4 (0.63) CYP3A4SLC7A5HRH3
Hydrochloric Acid SCHEMBL3393714 0.68 CYP3A4 (0.63) CYP3A4SLC7A5HRH3
SCHEMBL3846866 0.68 CYP3A4 (0.67) CYP3A4SLC7A5HRH3

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-20210079033-A1 GLUCOSAMINE DERIVATIVES FOR THE PREVENTION OR TREATMENT OF JOINT DISORDERS Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2021-03-18 — — 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-20210079033-A1 GLUCOSAMINE DERIVATIVES FOR THE PREVENTION OR TREATMENT OF JOINT DISORDERS OGT, UGGT1, GLA CYP3A4 3581/4885SLC7A5 454/4885HARS1 4262/4885

“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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