SCHEMBL20647694

SCHEMBL20647694

CC(=O)O[C@@H]1CC[C@H](OC(C)=O)CN(S(=O)(=O)c2cc(C(O)Nc3cc(F)c(F)c(F)c3)ccc2F)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.38
▸ TP53 P04637 2/20 0.37
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ LMNA P02545 3/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTT P42858 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ POLB P06746 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
SCHEMBL20647693 0.96 CYP3A4 (0.36) MAPTTP53CYP3A4CYP2D6CYP2C9
SCHEMBL20647810 0.83 CYP3A4 (0.41) MAPTTP53CYP3A4CYP2D6CYP2C9
SCHEMBL16903295 0.81 MAPT (0.53) MAPTTP53LMNAHTTMEN1
SCHEMBL17405120 0.81 MAPT (0.53) MAPTTP53LMNAHTTMEN1
SCHEMBL20647675 0.80 CYP3A4 (0.41) MAPTTP53CYP3A4CYP2D6CYP2C9
SCHEMBL22818589 0.79 CYP3A4 (0.53) MAPTTP53CYP3A4CYP2D6CYP2C9
SCHEMBL16903284 0.77 MAPT (0.48) MAPTTP53CYP3A4CYP2D6CYP2C9
SCHEMBL17405119 0.77 MAPT (0.48) MAPTTP53CYP3A4CYP2D6CYP2C9
SCHEMBL17405117 0.77 MAPT (0.48) MAPTTP53CYP3A4CYP2D6CYP2C9
SCHEMBL16903292 0.77 MAPT (0.48) MAPTTP53CYP3A4CYP2D6CYP2C9

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 MAPT 4757/4885TP53 1049/4885CYP3A4 273/4885
US-10392349-B2 Azepane derivatives and methods of treating hepatitis B infections HAVCR2, HDGF, AZI2 MAPT 4757/4885TP53 1049/4885CYP3A4 273/4885

“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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