SCHEMBL2853646

SCHEMBL2853646

CCCCCC(=O)N(Cc1ccc(C#Cc2ccc(CCCC)cc2)cc1)Cc1ccc2c(c1)C(=O)OC(C)(C)O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.39
PTPRO Q16827 1/20 0.39
LTB4R2 Q9NPC1 2/20 0.38
PKM P14618 1/20 0.37
PTGES O14684 1/20 0.36
PTPN1 P18031 3/20 0.36
ACP1 P24666 2/20 0.36
CDC25B P30305 2/20 0.36
ACAT1 P24752 1/20 0.36
ALDH1A1 P00352 1/20 0.36
BLM P54132 1/20 0.36
POLB P06746 1/20 0.36
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA4 P22748 2/20 0.36
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35

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
SCHEMBL13708340 0.97 LTB4R2 (0.38) PTPN11PTPROLTB4R2PKMPTGES
SCHEMBL13711644 0.89 LTB4R2 (0.44) LTB4R2PKMPTPN1ACP1CDC25B
SCHEMBL2848860 0.88 PTPN11 (0.41) PTPN11PTPROLTB4R2
SCHEMBL2859640 0.88 SLC6A4 (0.38) PTPN11PTPROLTB4R2PKMPTGES
SCHEMBL1811008 0.85 PTPN11 (0.42) PTPN11PTPROACAT1
SCHEMBL4456870 0.85 PTPN11 (0.42) PTPN11PTPROACAT1CA12CA1
SCHEMBL2864104 0.83 PTPN11 (0.38) PTPN11PTPROLTB4R2
SCHEMBL1814176 0.83 PTPN11 (0.43) PTPN11PTPROACAT1
SCHEMBL2861548 0.83 PTPN11 (0.41) PTPN11PTPROLTB4R2
SCHEMBL2873237 0.81 STAT3 (0.49) PTPN11PTPROPTGES

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
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-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 PTPN11 97/4885PTPRO 51/4885LTB4R2 827/4885

“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.