SCHEMBL20647828

SCHEMBL20647828

CCc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1S(=O)(=O)N1CC(O)COCC1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 8/20 0.50
▸ TSHR P16473 2/20 0.50
▸ MAPT P10636 11/20 0.47
▸ TP53 P04637 2/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ HTT P42858 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 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
SCHEMBL16903204 0.87 CPT1A (0.50) LMNATSHRMAPTSMN1; SMN2HTT
SCHEMBL16903273 0.87 LMNA (0.40) LMNATSHRMAPTTP53SMN1; SMN2
SCHEMBL16903274 0.87 RAB9A (0.44) LMNATSHRMAPTTP53SMN1; SMN2
SCHEMBL16903269 0.86 LMNA (0.50) LMNATSHRMAPTTP53SMN1; SMN2
SCHEMBL16903271 0.84 LMNA (0.52) LMNATSHRMAPTTP53SMN1; SMN2
SCHEMBL16903206 0.80 CPT1A (0.50) LMNATSHRSMN1; SMN2MEN1KMT2A
SCHEMBL16903207 0.80 LMNA (0.46) LMNATSHRMAPTSMN1; SMN2MEN1
SCHEMBL16903076 0.78 MAPT (0.55) LMNATSHRMAPTTP53SMN1; SMN2
SCHEMBL16903093 0.78 LMNA (0.65) LMNATSHRMAPTTP53SMN1; SMN2
SCHEMBL16903648 0.77 LMNA (0.57) LMNATSHRMAPTTP53SMN1; 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 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 LMNA 2166/4885TSHR 3422/4885MAPT 4757/4885
US-10392349-B2 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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