SCHEMBL16458767

SCHEMBL16458767

Nc1nc(N)n(-c2cc(SC(F)(F)F)cc(S(=O)(=O)C(F)(F)F)c2)n1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL16458263 0.77 GLA (0.42) ALDH1A1
SCHEMBL15556958 0.76 LMNA (0.46) ALDH1A1
SCHEMBL17394133 0.68 KIF11 (0.35) ALDH1A1
SCHEMBL15555708 0.68 PTGS2 (0.34) ALDH1A1
SCHEMBL15555952 0.64 JAK2 (0.48) —
SCHEMBL16458645 0.62 ALDH1A1 (0.38) ALDH1A1
SCHEMBL15556971 0.61 CYP11B1 (0.36) ALDH1A1
SCHEMBL15556408 0.60 LMNA (0.33) ALDH1A1
SCHEMBL17394189 0.59 JAK2 (0.48) —
SCHEMBL17363936 0.59 MAPT (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150307461-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-10-29 — — US claimed
US-20140010783-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2014-01-09 — — US claimed

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-20150307461-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ALDH1A1 222/4885
US-20140010783-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ALDH1A1 222/4885

“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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