SCHEMBL20647789

SCHEMBL20647789

CC1(C)CCN(S(=O)(=O)c2cc(C(O)Nc3cc(F)c(F)c(F)c3)ccc2F)CCC1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 4/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ CYP2D6 P10635 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 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ HTT P42858 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ CCR1 P32246 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 3/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL20647786 0.90 CYP3A4 (0.36) CYP2C9CYP3A4CYP2D6CYP2C19KCNH2
SCHEMBL22818589 0.87 CYP3A4 (0.53) CYP2C9CYP3A4CYP2D6CYP2C19KCNH2
SCHEMBL19841949 0.82 MAPT (0.43) CYP2C9CYP3A4CYP2D6CYP2C19KCNH2
SCHEMBL19841965 0.81 HSD11B1 (0.43) CYP2C9CYP3A4CYP2D6CYP2C19KCNH2
SCHEMBL20647810 0.81 CYP3A4 (0.41) CYP2C9CYP3A4CYP2D6CYP2C19KCNH2
SCHEMBL20647787 0.80 CYP3A4 (0.40) CYP2C9CYP3A4CYP2D6CYP2C19KCNH2
SCHEMBL16903264 0.80 MAPT (0.58) CYP2C9CYP3A4CYP2D6CYP2C19KCNH2
SCHEMBL20647809 0.80 CYP3A4 (0.41) CYP2C9CYP3A4CYP2D6CYP2C19KCNH2
SCHEMBL20647780 0.79 MAPT (0.41) CYP2C9CYP3A4CYP2D6CYP2C19KCNH2
SCHEMBL20647675 0.78 CYP3A4 (0.41) CYP2C9CYP3A4CYP2D6CYP2C19KCNH2

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 CYP2C9 979/4885CYP3A4 273/4885CYP2D6 1425/4885
US-10392349-B2 Azepane derivatives and methods of treating hepatitis B infections HAVCR2, HDGF, AZI2 CYP2C9 979/4885CYP3A4 273/4885CYP2D6 1425/4885

“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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