SCHEMBL2875669

SCHEMBL2875669

CCCCc1ccc(C#Cc2ccc(CN(C(=O)c3cc4ccccc4s3)c3ccc4c(c3)C(=O)OC(C)(C)O4)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 3/20 0.41
HDAC3 O15379 5/20 0.39
HDAC1 Q13547 5/20 0.39
HDAC2 Q92769 5/20 0.39
STAT3 P40763 3/20 0.37
PTPN11 Q06124 1/20 0.36
PTPRO Q16827 1/20 0.36
PDK1 Q15118 1/20 0.35
RAB9A P51151 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
ACKR3 P25106 1/20 0.33
POLB P06746 1/20 0.33
CLK1 P49759 1/20 0.31
DYRK1A Q13627 1/20 0.31

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
SCHEMBL2848867 0.86 STAT3 (0.41) STAT3PTPN11PTPROPDK1MMP2
SCHEMBL2873237 0.84 STAT3 (0.49) STAT3PTPN11PTPRO
SCHEMBL2855274 0.83 STAT3 (0.45) STAT3PTPN11PTPRO
SCHEMBL2858906 0.82 PTPN11 (0.40) STAT3PTPN11PTPROMMP2MMP9
SCHEMBL2848860 0.82 PTPN11 (0.41) STAT3PTPN11PTPRO
SCHEMBL13711707 0.81 PTPN11 (0.39) STAT3PTPN11PTPROMMP2MMP9
SCHEMBL2868984 0.81 PTGES (0.48) STAT3PTPN11PTPROPOLB
SCHEMBL2862192 0.81 PTPN11 (0.39) STAT3PTPN11PTPRORAB9AMMP2
SCHEMBL2856363 0.81 ALDH1A1 (0.46) STAT3
SCHEMBL1734820 0.80 STAT3 (0.60) NPY2RHDAC3HDAC1HDAC2STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654247-B1 ALKYNYL ARYL CARBOXAMIDES MERCK SERONO SA (CH) 2010-01-20 EP disclosed
US-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 US disclosed
US-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 US disclosed
US-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 US disclosed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 US disclosed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 US disclosed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 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-20070105913-A1 Alkynyl aryl carboxamides ECHS1, IRS1, HCCS NPY2R 687/4885HDAC3 425/4885HDAC1 1070/4885

“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.