SCHEMBL10163435

SCHEMBL10163435

CC(=O)C(=O)NCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.62
MTNR1B P49286 3/20 0.62
ALDH1A1 P00352 5/20 0.57
SLC2A1 P11166 1/20 0.55
PLAAT3 P53816 1/20 0.54
PLAAT5 Q96KN8 1/20 0.54
PLAAT2 Q9NWW9 1/20 0.54
PLAAT4 Q9UL19 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HPGD P15428 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 2/20 0.52
POLB P06746 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
FFAR4 Q5NUL3 1/20 0.51
BCHE P06276 2/20 0.51
ABCB1 P08183 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50

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
SCHEMBL7365371 0.89 MTNR1A (0.61) MTNR1AMTNR1BALDH1A1SLC2A1PLAAT3
SCHEMBL2746594 0.88 MTNR1A (0.57) MTNR1AMTNR1BALDH1A1SLC2A1PLAAT3
SCHEMBL12707593 0.88 PLAAT3 (0.53) MTNR1AMTNR1BALDH1A1SLC2A1PLAAT3
SCHEMBL7364544 0.87 ALDH1A1 (0.57) MTNR1AMTNR1BALDH1A1SLC2A1PLAAT3
SCHEMBL13139208 0.84 MTNR1A (0.78) MTNR1AMTNR1BALDH1A1PLAAT3PLAAT5
SCHEMBL30028243 0.84 MTNR1A (0.86) MTNR1AMTNR1BALDH1A1PLAAT3PLAAT5
SCHEMBL10604591 0.83 ALDH1A1 (0.61) MTNR1AMTNR1BALDH1A1SLC2A1MEN1
SCHEMBL16380139 0.82 MTNR1A (0.66) MTNR1AMTNR1BALDH1A1SLC2A1MEN1
SCHEMBL16220573 0.82 MTNR1A (0.66) MTNR1AMTNR1BALDH1A1SLC2A1MEN1
SCHEMBL12707505 0.82 SLC2A1 (0.58) MTNR1AMTNR1BALDH1A1SLC2A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314141-B2 Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-20 US disclosed
US-8314141-B2 Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-20 US disclosed
EP-2409985-A2 Inhibitors de serine proteases, especially of the NS3 protease of the hepatitis C virus VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-25 EP disclosed
EP-2314598-A1 Inhibitors of Hepatitis C virus NS3 serine protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-27 EP disclosed
US-20090143312-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-04 US disclosed
US-20090143312-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-04 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-20090143312-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE HPN, PRSS1, PRSS3 MTNR1A 4357/4885MTNR1B 4107/4885ALDH1A1 3201/4885

“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.