SCHEMBL20647771

SCHEMBL20647771

O=S(=O)(c1cc(C(O)Nc2ccc(F)c(Cl)c2)ccc1F)N1CCOCC(F)(F)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 9/20 0.45
▸ LMNA P02545 4/20 0.43
▸ TSHR P16473 2/20 0.43
▸ MAPT P10636 5/20 0.42
▸ TP53 P04637 1/20 0.41
▸ LPAR1 Q92633 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ GALR3 O60755 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ GSTO1 P78417 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL19842039 0.86 LMNA (0.44) ENPP2LMNATSHRMAPTTP53
SCHEMBL16903158 0.81 LMNA (0.68) ENPP2LMNATSHRMAPTTP53
SCHEMBL20647815 0.77 MAPT (0.47) ENPP2LMNATSHRMAPTTP53
SCHEMBL19841963 0.76 MAPT (0.48) LMNAMAPTTP53RAB9AHTT
SCHEMBL20083954 0.75 MAPT (0.41) LMNAMAPTTP53HTTSMN1; SMN2
SCHEMBL21844846 0.74 MDM2 (0.42) LMNATSHRMAPTRAB9AMEN1
SCHEMBL20647800 0.73 LMNA (0.40) ENPP2LMNATSHRMAPTRAB9A
SCHEMBL20647781 0.73 CYP3A4 (0.42) LMNAMAPTTP53HTTSMN1; SMN2
SCHEMBL20647677 0.73 MAPT (0.46) LMNATSHRMAPTTP53KMT2A
SCHEMBL16903164 0.73 LMNA (0.61) LMNATSHRMAPTTP53MEN1

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 ENPP2 777/4885LMNA 2166/4885TSHR 3422/4885
US-10392349-B2 Azepane derivatives and methods of treating hepatitis B infections HAVCR2, HDGF, AZI2 ENPP2 777/4885LMNA 2166/4885TSHR 3422/4885

“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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