SCHEMBL17405111

SCHEMBL17405111

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.48
▸ TSHR P16473 2/20 0.48
▸ MAPT P10636 14/20 0.47
▸ HTT P42858 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ TP53 P04637 5/20 0.47
▸ POLB P06746 3/20 0.47
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL17405112 0.89 LMNA (0.50) LMNATSHRMAPTHTTSMN1; SMN2
SCHEMBL17405120 0.88 MAPT (0.53) LMNATSHRMAPTHTTSMN1; SMN2
SCHEMBL16903295 0.88 MAPT (0.53) LMNATSHRMAPTHTTSMN1; SMN2
SCHEMBL16903219 0.86 LMNA (0.59) LMNATSHRMAPTHTTSMN1; SMN2
SCHEMBL17405119 0.86 MAPT (0.48) LMNATSHRMAPTHTTSMN1; SMN2
SCHEMBL16903292 0.86 MAPT (0.48) LMNATSHRMAPTHTTSMN1; SMN2
SCHEMBL17405117 0.86 MAPT (0.48) LMNATSHRMAPTHTTSMN1; SMN2
SCHEMBL16903284 0.86 MAPT (0.48) LMNATSHRMAPTHTTSMN1; SMN2
SCHEMBL28449581 0.83 MAPT (0.58) LMNATSHRMAPTHTTSMN1; SMN2
SCHEMBL16903644 0.82 MAPT (0.56) LMNATSHRMAPTHTTSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9339510-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2016-05-17 — — US disclosed
US-9339510-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2016-05-17 — — US disclosed
US-20160000812-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2016-01-07 — — US disclosed
US-20160000812-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2016-01-07 — — 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 (1 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-20160000812-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 LMNA 2166/4885TSHR 3422/4885MAPT 4757/4885

“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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