SCHEMBL20647780

SCHEMBL20647780

CC1CN(S(=O)(=O)c2cc(C(O)Nc3cc(F)c(F)c(F)c3)ccc2F)CCCC1O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.41
▸ TP53 P04637 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ LMNA P02545 3/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL20647776 0.93 MAPT (0.43) MAPTTP53SMN1; SMN2CYP3A4CYP2D6
SCHEMBL19841949 0.91 MAPT (0.43) MAPTTP53SMN1; SMN2CYP3A4CYP2D6
SCHEMBL20647806 0.88 MAPT (0.45) MAPTTP53SMN1; SMN2HTTTSHR
SCHEMBL19841961 0.88 MAPT (0.34) MAPTTP53SMN1; SMN2CYP3A4CYP2D6
SCHEMBL20647810 0.82 CYP3A4 (0.41) MAPTTP53SMN1; SMN2CYP3A4CYP2D6
SCHEMBL22818589 0.82 CYP3A4 (0.53) MAPTTP53SMN1; SMN2CYP3A4CYP2D6
SCHEMBL19841967 0.81 CYP3A4 (0.36) MAPTTP53SMN1; SMN2CYP3A4CYP2D6
SCHEMBL20647809 0.81 CYP3A4 (0.41) MAPTTP53CYP3A4CYP2D6CYP2C9
SCHEMBL16903194 0.80 MAPT (0.58) MAPTTP53SMN1; SMN2CYP3A4CYP2D6
SCHEMBL18387930 0.80 MAPT (0.58) MAPTTP53SMN1; SMN2CYP3A4CYP2D6

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 1049/4885SMN1; SMN2 4568/4885
US-10392349-B2 Azepane derivatives and methods of treating hepatitis B infections HAVCR2, HDGF, AZI2 MAPT 4757/4885TP53 1049/4885SMN1; 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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