SCHEMBL17405120

SCHEMBL17405120

CC(=O)OC1CC[C@H](OC(C)=O)CN(S(=O)(=O)c2cc(C(=O)Nc3cc(F)c(F)c(F)c3)ccc2F)C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 0.53
▸ TP53 P04637 6/20 0.53
▸ LMNA P02545 4/20 0.51
▸ TSHR P16473 2/20 0.51
▸ HTT P42858 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ POLB P06746 3/20 0.49
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48

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
SCHEMBL16903295 1.00 MAPT (0.53) MAPTTP53LMNATSHRHTT
SCHEMBL17405117 0.95 MAPT (0.48) MAPTTP53LMNATSHRHTT
SCHEMBL17405119 0.95 MAPT (0.48) MAPTTP53LMNATSHRHTT
SCHEMBL16903292 0.95 MAPT (0.48) MAPTTP53LMNATSHRHTT
SCHEMBL16903284 0.95 MAPT (0.48) MAPTTP53LMNATSHRHTT
SCHEMBL16903644 0.94 MAPT (0.56) MAPTTP53LMNATSHRHTT
SCHEMBL16906295 0.92 MAPT (0.58) MAPTTP53LMNATSHRHTT
SCHEMBL28449581 0.90 MAPT (0.58) MAPTTP53LMNATSHRHTT
SCHEMBL17405111 0.88 LMNA (0.48) MAPTTP53LMNATSHRHTT
SCHEMBL17405121 0.88 MAPT (0.55) MAPTTP53LMNATSHRHTT

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-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

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 MAPT 4757/4885TP53 1049/4885LMNA 2166/4885

“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.

Send feedback