SCHEMBL10315765

SCHEMBL10315765

CC(=O)C(=O)NC(C)c1ccc(C)cc1F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPR139 Q6DWJ6 2/20 0.46
▸ PDE2A O00408 3/20 0.39
▸ LMNA P02545 2/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL30202978 0.87 GPR139 (0.47) GPR139PDE2ALMNAKMT2AMEN1
SCHEMBL8300134 0.86 CES2 (0.44) GPR139PDE2AKMT2AALDH1A1L3MBTL1
SCHEMBL14930805 0.84 GPR139 (0.44) GPR139LMNAKMT2AMEN1ALDH1A1
SCHEMBL10315769 0.81 MEN1 (0.45) PDE2ALMNAKMT2AMEN1ALDH1A1
SCHEMBL23122277 0.79 GPR139 (0.52) GPR139PDE2ALMNAKMT2AMEN1
SCHEMBL29757903 0.79 GPR139 (0.52) GPR139PDE2ALMNAKMT2AMEN1
SCHEMBL23122274 0.79 GPR139 (0.52) GPR139PDE2ALMNAKMT2AMEN1
SCHEMBL23134302 0.74 HTR2A (0.44) GPR139PDE2ALMNATRPA1CHRM1
SCHEMBL10315770 0.73 L3MBTL1 (0.45) GPR139LMNAALDH1A1L3MBTL1
SCHEMBL31187732 0.72 L3MBTL1 (0.48) GPR139KMT2AL3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116169-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-09 — — US disclosed
US-8217048-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-10 — — US disclosed
US-20110104115-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCOROPRATED (US) 2011-05-05 — — 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-20130116169-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE SERPINB1, PRSS1, SPINT2 GPR139 4694/4885PDE2A 2332/4885LMNA 1651/4885
US-20110104115-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE SERPINB1, PRSS1, SPINT2 GPR139 4694/4885PDE2A 2332/4885LMNA 1651/4885

“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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