SCHEMBL13777763

SCHEMBL13777763

CCNC(=O)[C@@H](OCn1cnc2c(N)nc(C[C@H]3CC[C@H](COC(=O)OCc4ccccc4)CC3)nc21)C(O)CO

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.34
▸ ADORA1 P30542 6/20 0.34
▸ TMIGD3 P0DMS9 4/20 0.34
▸ ADORA3 P0DMS8 2/20 0.33
▸ ADORA2B P29275 3/20 0.33
▸ NT5E P21589 5/20 0.31
▸ SERPINA3 P01011 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
SCHEMBL13777764 0.89 PDE3A (0.34) —
SCHEMBL13777718 0.81 ADORA2A (0.36) ADORA2AADORA1ADORA3
SCHEMBL13625892 0.80 GRIN2B (0.40) ADORA1
SCHEMBL13625768 0.79 ADORA3 (0.32) ADORA3
SCHEMBL13625863 0.78 ADORA3 (0.36) ADORA2AADORA3
SCHEMBL13626076 0.77 ADORA3 (0.34) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL13625683 0.77 ADORA3 (0.34) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL13777716 0.77 ADORA3 (0.32) ADORA2AADORA1ADORA3
SCHEMBL13819681 0.77 ACACB (0.32) —
SCHEMBL13819686 0.76 MEN1 (0.31) —

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-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-07-02 — — 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-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES ADORA2A, PDE4A, PDE4B ADORA2A 1/4885ADORA1 10/4885TMIGD3 3978/4885

“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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