SCHEMBL10315769

SCHEMBL10315769

CC(=O)C(=O)NC(C)c1ccc(C)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ LMNA P02545 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ACACB O00763 1/20 0.40
▸ PDE2A O00408 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 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
SCHEMBL14930805 0.84 GPR139 (0.44) MEN1KMT2ALMNAALDH1A1TAS1R3
SCHEMBL10315765 0.81 GPR139 (0.46) MEN1KMT2ALMNAPOLBPDE2A
SCHEMBL22660107 0.73 MAPK1 (0.50) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL22660106 0.73 MAPK1 (0.50) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL10315770 0.73 L3MBTL1 (0.45) LMNAMAPTL3MBTL1ALDH1A1TAS1R3
SCHEMBL26568852 0.72 HTT (0.43) MEN1KMT2ALMNA
SCHEMBL10315780 0.72 SMN1; SMN2 (0.50) MEN1KMT2ALMNAMAPTACACB
SCHEMBL10745986 0.71 CXCL8 (0.43) MEN1KMT2ALMNA
SCHEMBL8300117 0.71 SMN1; SMN2 (0.65) MEN1KMT2ALMNAALDH1A1
SCHEMBL18567951 0.71 LMNA (0.44) LMNAPDE2A

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 MEN1 4236/4885KMT2A 2411/4885LMNA 1651/4885
US-20110104115-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE SERPINB1, PRSS1, SPINT2 MEN1 4236/4885KMT2A 2411/4885LMNA 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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