SCHEMBL20470307

SCHEMBL20470307

CCCCCCCCCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 16/20 1.00
▸ CYP2D6 P10635 16/20 1.00

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
SCHEMBL23425531 1.00 CYP3A4 (1.00) CYP3A4CYP2D6
SCHEMBL23425530 1.00 CYP3A4 (1.00) CYP3A4CYP2D6
SCHEMBL20470082 1.00 CYP3A4 (1.00) CYP3A4CYP2D6
SCHEMBL24722481 1.00 CYP3A4 (1.00) CYP3A4CYP2D6
SCHEMBL15948742 1.00 CYP3A4 (1.00) CYP3A4CYP2D6
SCHEMBL23425528 1.00 CYP3A4 (1.00) CYP3A4CYP2D6
Ammonia Solution, Strong SCHEMBL29828516 0.99 CYP3A4 (1.00) CYP3A4CYP2D6
Ammonia Solution, Strong SCHEMBL29828277 0.99 CYP3A4 (1.00) CYP3A4CYP2D6
SCHEMBL23425529 0.99 CYP3A4 (0.98) CYP3A4CYP2D6
SCHEMBL23015000 0.97 CYP3A4 (0.97) CYP3A4CYP2D6

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-20210315912-A1 SELF-ASSEMBLED GELS FORMED WITH ANTI-RETROVIRAL DRUGS, PRODRUGS THEREOF, AND PHARMACEUTICAL USES THEREOF THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2021-10-14 — — US disclosed
US-11020410-B2 Self-assembled gels formed with anti-retroviral drugs, prodrugs thereof, and pharmaceutical uses thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2021-06-01 — — US disclosed
WO-2018144991-A1 SELF-ASSEMBLED GELS FORMED WITH ANTI-RETROVIRAL DRUGS, PRODRUGS THEREOF, AND PHARMACEUTICAL USES THEREOF THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2018-08-09 — — WO 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 (2 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-11020410-B2 Self-assembled gels formed with anti-retroviral drugs, prodrugs thereof, and pharmaceutical uses thereof PYGL, HPGDS, PAICS CYP3A4 58/4885CYP2D6 169/4885
US-20210315912-A1 SELF-ASSEMBLED GELS FORMED WITH ANTI-RETROVIRAL DRUGS, PRODRUGS THEREOF, AND PHARMACEUTICAL USES THEREOF PYGL, HPGDS, PAICS CYP3A4 58/4885CYP2D6 169/4885

“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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