SCHEMBL20647810

SCHEMBL20647810

O=S(=O)(c1cc(C(O)Nc2cc(F)c(F)c(F)c2)ccc1F)N1C[C@H](O)CC[C@H](O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.41
▸ CYP2D6 P10635 3/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ MAPT P10636 6/20 0.37
▸ TP53 P04637 3/20 0.37
▸ PKM P14618 1/20 0.35
▸ LMNA P02545 4/20 0.34
▸ TSHR P16473 2/20 0.34
▸ ALOX5AP P20292 4/20 0.33
▸ FEN1 P39748 4/20 0.33
▸ TDO2 P48775 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL22818589 0.89 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL20647693 0.89 CYP3A4 (0.36) CYP3A4CYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL20647809 0.88 CYP3A4 (0.41) CYP3A4CYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL20647803 0.83 CYP3A4 (0.35) CYP3A4CYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL20647694 0.83 MAPT (0.38) CYP3A4CYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL20647783 0.82 MAPT (0.39) CYP3A4CYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL20647780 0.82 MAPT (0.41) CYP3A4CYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL20647675 0.82 CYP3A4 (0.41) CYP3A4CYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL20647812 0.81 CYP3A4 (0.34) CYP3A4CYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL20647789 0.81 CYP2C9 (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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