SCHEMBL20647758

SCHEMBL20647758

CC1CCCC(O)CN1S(=O)(=O)c1cc(C(O)Nc2ccc(F)c(Cl)c2)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.39
▸ THRB P10828 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TP53 P04637 3/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ BRD4 O60885 1/20 0.35
▸ ATAD2 Q6PL18 1/20 0.35
▸ CECR2 Q9BXF3 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ OPRK1 P41145 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ MDM2 Q00987 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL20647803 0.88 CYP3A4 (0.35) MAPTTP53L3MBTL1ACHECYP1A2
SCHEMBL20647827 0.87 MAPT (0.44) MAPTTHRBSMN1; SMN2TP53L3MBTL1
SCHEMBL16903075 0.81 MAPT (0.52) MAPTTHRBSMN1; SMN2TP53HTT
SCHEMBL20647783 0.80 MAPT (0.39) MAPTTHRBSMN1; SMN2TP53HTT
SCHEMBL20647806 0.80 MAPT (0.45) MAPTTHRBSMN1; SMN2TP53L3MBTL1
SCHEMBL20647804 0.79 MAPT (0.39) MAPTTHRBSMN1; SMN2TP53HCRTR1
SCHEMBL20647781 0.77 CYP3A4 (0.42) MAPTTHRBSMN1; SMN2TP53HTT
SCHEMBL20083954 0.77 MAPT (0.41) MAPTTHRBSMN1; SMN2TP53HTT
SCHEMBL21844846 0.74 MDM2 (0.42) MAPTSMN1; SMN2MDM2HTT
SCHEMBL19157910 0.72 ACLY (0.40) MAPTSMN1; SMN2TP53MDM2

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 4757/4885THRB 1328/4885SMN1; SMN2 4568/4885
US-10392349-B2 Azepane derivatives and methods of treating hepatitis B infections HAVCR2, HDGF, AZI2 MAPT 4757/4885THRB 1328/4885SMN1; SMN2 4568/4885

“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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