SCHEMBL104557

SCHEMBL104557

CCCNC(=O)c1cccc(C(C)C)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53BP1 Q12888 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.65
SMN1; SMN2 Q16637 3/20 0.59
ALDH1A1 P00352 2/20 0.58
POLB P06746 1/20 0.58
GAA P10253 2/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53
KAT6A Q92794 3/20 0.50
ERN1 O75460 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ROCK2 O75116 1/20 0.49
EPHX2 P34913 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
NAAA Q02083 1/20 0.46
PSMB8 P28062 1/20 0.46

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
SCHEMBL30277616 1.00 TP53BP1 (0.67) TP53BP1L3MBTL1SMN1; SMN2ALDH1A1POLB
SCHEMBL10080947 0.90 TP53BP1 (0.70) TP53BP1L3MBTL1SMN1; SMN2ALDH1A1POLB
SCHEMBL21345718 0.88 TP53BP1 (0.67) TP53BP1L3MBTL1SMN1; SMN2ALDH1A1POLB
SCHEMBL14445019 0.87 TP53BP1 (0.62) TP53BP1L3MBTL1SMN1; SMN2ALDH1A1GAA
SCHEMBL30277542 0.87 TP53BP1 (0.62) TP53BP1L3MBTL1SMN1; SMN2ALDH1A1GAA
SCHEMBL11994348 0.86 TP53BP1 (0.65) TP53BP1L3MBTL1SMN1; SMN2GAAKMT2A
SCHEMBL12829992 0.86 L3MBTL1 (0.63) TP53BP1L3MBTL1SMN1; SMN2ALDH1A1POLB
SCHEMBL12305721 0.85 TP53BP1 (0.64) TP53BP1L3MBTL1SMN1; SMN2POLBGAA
SCHEMBL20646759 0.85 TP53BP1 (0.64) TP53BP1SMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL13763531 0.85 L3MBTL1 (0.80) TP53BP1L3MBTL1SMN1; SMN2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-20180185364-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-05 US disclosed
US-9782408-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-10-10 US disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
US-20160095858-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-04-07 US disclosed
US-8658651-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-25 US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
US-20120214823-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2012-08-23 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-7897609-B2 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 US disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 US disclosed
US-7807672-B2 Compounds that are ERK inhibitors SCHERING CORPORATION (US) 2010-10-05 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 US disclosed
US-20070219228-A1 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-20 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 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 (11 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-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS MAPK1, MAPK4, MAPK10 TP53BP1 1143/4885L3MBTL1 3442/4885SMN1; SMN2 4316/4885
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 TP53BP1 3916/4885L3MBTL1 4139/4885SMN1; SMN2 4581/4885
US-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 TP53BP1 1021/4885L3MBTL1 3535/4885SMN1; SMN2 3973/4885
US-20180185364-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 TP53BP1 3917/4885L3MBTL1 3997/4885SMN1; SMN2 4751/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 TP53BP1 789/4885L3MBTL1 3654/4885SMN1; SMN2 3842/4885
US-20120214823-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 TP53BP1 934/4885L3MBTL1 2745/4885SMN1; SMN2 4043/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 TP53BP1 3917/4885L3MBTL1 3997/4885SMN1; SMN2 4751/4885
US-20070232610-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 TP53BP1 789/4885L3MBTL1 3654/4885SMN1; SMN2 3842/4885
US-20070219228-A1 Aryl substituted imidazonaphthyridines IL2, IRF3, EIF2AK2 TP53BP1 1798/4885L3MBTL1 3174/4885SMN1; SMN2 3309/4885
US-20160095858-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, SCNN1B, SLC26A4 TP53BP1 3917/4885L3MBTL1 3997/4885SMN1; SMN2 4751/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 TP53BP1 3917/4885L3MBTL1 3997/4885SMN1; SMN2 4751/4885

“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.