SCHEMBL20647803

SCHEMBL20647803

CC1CCCC(O)CN1S(=O)(=O)c1cc(C(O)Nc2cc(F)c(F)c(F)c2)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.35
▸ CYP2D6 P10635 3/20 0.35
▸ CYP2C9 P11712 3/20 0.35
▸ CYP2C19 P33261 3/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ TP53 P04637 3/20 0.33
▸ AKR1C3 P42330 2/20 0.31
▸ POLB P06746 1/20 0.30
▸ ACHE P22303 1/20 0.30

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
SCHEMBL20647758 0.88 MAPT (0.39) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL20647812 0.83 CYP3A4 (0.34) CYP3A4CYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL20647810 0.83 CYP3A4 (0.41) CYP3A4CYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL16903077 0.80 MAPT (0.51) CYP3A4CYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL22818589 0.79 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL20647780 0.79 MAPT (0.41) CYP3A4CYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL20647679 0.78 ALDH1A1 (0.40) CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL20647787 0.77 CYP3A4 (0.40) CYP3A4CYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL19841949 0.77 MAPT (0.43) CYP3A4CYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL20647809 0.76 CYP3A4 (0.41) CYP3A4CYP2D6CYP2C9CYP2C19KCNH2

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-10392349-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2019-08-27 — — US disclosed
US-20190016682-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2019-01-17 — — 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 (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-20190016682-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 CYP3A4 273/4885CYP2D6 1425/4885CYP2C9 979/4885
US-10392349-B2 Azepane derivatives and methods of treating hepatitis B infections HAVCR2, HDGF, AZI2 CYP3A4 273/4885CYP2D6 1425/4885CYP2C9 979/4885

“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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