SCHEMBL18723053

SCHEMBL18723053

CCOC[C@@]12CC[C@@H](O1)[C@H](NC(C)=O)[C@@H](O)[C@H]2O

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ASGR1 P07306 10/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ THRB P10828 1/20 0.30

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
SCHEMBL18722938 0.90 ASGR1 (0.65) ASGR1SMN1; SMN2MAPK1
SCHEMBL18722868 0.89 ASGR1 (0.67) ASGR1MAPK1
SCHEMBL18722900 0.87 ASGR1 (0.69) ASGR1MAPK1
SCHEMBL18722865 0.85 ASGR1 (0.53) ASGR1
SCHEMBL22021917 0.83 ASGR1 (0.53) ASGR1
SCHEMBL18722934 0.83 ASGR1 (0.59) ASGR1ALDH1A1THRB
SCHEMBL21249100 0.82 ASGR1 (0.51) ASGR1
SCHEMBL18967925 0.82 ASGR1 (0.51) ASGR1
SCHEMBL18722866 0.81 ASGR1 (0.47) ASGR1
SCHEMBL17256414 0.78 ASGR1 (1.00) ASGR1MAPK1ALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851367-B2 Tissue-specific genome engineering using CRISPR-Cas9 PFIZER INC. (US) 2020-12-01 — — US disclosed
US-10376531-B2 Substituted-6,8-dioxabicyclo[3.2.1]octane-2,3-diol compounds as targeting agents of ASGPR PFIZER INC. (US) 2019-08-13 — — US disclosed
US-10039778-B2 Substituted-6,8-dioxabicyclo[3.2.1]octane-2,3-diol compounds as targeting agents of ASGPR PFIZER INC. (US) 2018-08-07 — — US disclosed
US-20170165284-A1 SUBSTITUTED-6,8-DIOXABICYCLO[3.2.1]OCTANE-2,3-DIOL COMPOUNDS AS TARGETING AGENTS OF ASGPR PFIZER INC. (US) 2017-06-15 — — US disclosed
US-20170137801-A1 TISSUE-SPECIFIC GENOME ENGINEERING USING CRISPR-CAS9 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-05-18 — — US disclosed
US-9617293-B2 Substituted-6,8-dioxabicyclo[3.2.1]octane-2,3-diol compounds as targeting agents of ASGPR PFIZER INC. (US) 2017-04-11 — — 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 (4 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-20170165284-A1 SUBSTITUTED-6,8-DIOXABICYCLO[3.2.1]OCTANE-2,3-DIOL COMPOUNDS AS TARGETING AGENTS OF ASGPR ASGR1, MRGPRX2, LDLR ASGR1 1/4885SMN1; SMN2 3913/4885MAPK1 2241/4885
US-10851367-B2 Tissue-specific genome engineering using CRISPR-Cas9 ASGR1, LDLR, HAVCR2 ASGR1 1/4885SMN1; SMN2 2411/4885MAPK1 3145/4885
US-10039778-B2 Substituted-6,8-dioxabicyclo[3.2.1]octane-2,3-diol compounds as targeting agents of ASGPR ASGR1, MRGPRX2, LDLR ASGR1 1/4885SMN1; SMN2 3913/4885MAPK1 2241/4885
US-10376531-B2 Substituted-6,8-dioxabicyclo[3.2.1]octane-2,3-diol compounds as targeting agents of ASGPR ASGR1, MRGPRX2, LDLR ASGR1 1/4885SMN1; SMN2 3913/4885MAPK1 2241/4885

“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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