SCHEMBL20644365

SCHEMBL20644365

Cc1nc[nH]c1CN1c2ccccc2CN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1CCc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.81

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
SCHEMBL20644266 0.87 CYP2C9 (0.82) CYP2C9
SCHEMBL2905758 0.86 CYP2C9 (0.74) CYP2C9
SCHEMBL10165695 0.78 CYP2C9 (0.84) CYP2C9
SCHEMBL2905677 0.78 CYP2C9 (0.63) CYP2C9
SCHEMBL10165691 0.76 CYP2C9 (0.61) CYP2C9
SCHEMBL2916716 0.75 CYP2C9 (0.59) CYP2C9
SCHEMBL10149140 0.75 CYP2C9 (0.59) CYP2C9
SCHEMBL20644349 0.75 CYP2C9 (0.59) CYP2C9
SCHEMBL20644351 0.75 CYP2C9 (0.60) CYP2C9
SCHEMBL10149217 0.75 CYP2C9 (0.81) CYP2C9

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-20200306253-A1 Therapeutic Modulators of the Reverse Mode of ATP Synthase FORREST MICHAEL DAVID (GB) 2020-10-01 — — US disclosed
US-20200247758-A1 Therapeutic Inhibitors of the Reverse Mode of ATP Synthase FORREST MICHAEL DAVID (GB) 2020-08-06 — — US disclosed
WO-2019012149-A1 THERAPEUTIC MODULATORS OF THE REVERSE MODE OF ATP SYNTHASE FORREST MICHAEL DAVID (GB) 2019-01-17 — — 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-20200306253-A1 Therapeutic Modulators of the Reverse Mode of ATP Synthase ATP5ME, ATP5F1A, ATP5MG CYP2C9 2626/4885
US-20200247758-A1 Therapeutic Inhibitors of the Reverse Mode of ATP Synthase ATP5ME, ATP5MG, ATP5F1A CYP2C9 662/4885

“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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