SCHEMBL13696403

SCHEMBL13696403

C[C@@]1(O)[C@H](O)C(CO)O[C@H]1c1ccc2c(NCl)ncnn12

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 10/20 0.37
▸ ADORA2A P29274 8/20 0.36
▸ ADORA1 P30542 7/20 0.36
▸ ADORA2B P29275 4/20 0.36
▸ TMPRSS2 O15393 1/20 0.36
▸ ALOX15 P16050 1/20 0.33
▸ ADA P00813 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
SCHEMBL9912327 1.00 ADORA3 (0.37) ADORA3ADORA2AADORA1ADORA2BTMPRSS2
SCHEMBL13691382 0.90 ADORA3 (0.39) ADORA3ADORA2AADORA1ADORA2BTMPRSS2
SCHEMBL2722884 0.84 ADORA2A (0.46) ADORA3ADORA2AADORA1ADORA2BTMPRSS2
SCHEMBL646134 0.84 ADORA2A (0.46) ADORA3ADORA2AADORA1ADORA2BTMPRSS2
SCHEMBL13519758 0.84 ADORA2A (0.46) ADORA3ADORA2AADORA1ADORA2BTMPRSS2
SCHEMBL17117149 0.84 ADORA2A (0.46) ADORA3ADORA2AADORA1ADORA2BTMPRSS2
SCHEMBL17109576 0.84 ADORA2A (0.46) ADORA3ADORA2AADORA1ADORA2BTMPRSS2
SCHEMBL19644967 0.84 ADORA2A (0.46) ADORA3ADORA2AADORA1ADORA2BTMPRSS2
SCHEMBL13695331 0.84 ADORA2A (0.46) ADORA3ADORA2AADORA1ADORA2BTMPRSS2
SCHEMBL10100358 0.82 ADORA2A (0.37) ADORA3ADORA2AADORA1ADORA2BADA

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-20090227524-A1 ANTIVIRAL THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2009-09-10 — — 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-20090227524-A1 ANTIVIRAL THERAPEUTIC AGENTS EIF2AK2, ZC3HAV1, MAVS ADORA3 2842/4885ADORA2A 3132/4885ADORA1 2393/4885

“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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