SCHEMBL20647802

SCHEMBL20647802

O=S(=O)(c1cc(C(O)Nc2ccc(F)c(Cl)c2)ccc1CF)N1CCC[C@H](O)[C@@H](F)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.40
▸ TP53 P04637 5/20 0.40
▸ THRB P10828 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ CYP19A1 P11511 1/20 0.36
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ HTT P42858 3/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL20647677 0.87 MAPT (0.46) MAPTTP53THRBSMN1; SMN2LMNA
SCHEMBL16903121 0.83 MAPT (0.52) MAPTTP53SMN1; SMN2LMNAHTT
SCHEMBL16903122 0.83 MAPT (0.52) MAPTTP53SMN1; SMN2LMNAHTT
SCHEMBL19841959 0.83 MAPT (0.39) MAPTTP53THRBSMN1; SMN2LMNA
SCHEMBL16903112 0.83 MAPT (0.52) MAPTTP53SMN1; SMN2LMNAHTT
SCHEMBL20647806 0.82 MAPT (0.45) MAPTTP53THRBSMN1; SMN2LMNA
SCHEMBL20083954 0.82 MAPT (0.41) MAPTTP53THRBSMN1; SMN2LMNA
SCHEMBL18084734 0.81 MAPT (0.53) MAPTTP53SMN1; SMN2LMNATSHR
SCHEMBL20647807 0.79 SMN1; SMN2 (0.48) MAPTSMN1; SMN2LMNAHTTTSHR
SCHEMBL19841961 0.77 MAPT (0.34) MAPTTP53THRBSMN1; SMN2LMNA

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 1049/4885THRB 1328/4885
US-10392349-B2 Azepane derivatives and methods of treating hepatitis B infections HAVCR2, HDGF, AZI2 MAPT 4757/4885TP53 1049/4885THRB 1328/4885

“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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