SCHEMBL1854045

SCHEMBL1854045

O=C(O)C(=O)N(Cc1ccc(C#Cc2ccc(OCc3ccccc3)cc2)cc1)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.50
PTGES O14684 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPN6 P29350 1/20 0.50
PTPN11 Q06124 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
SLC2A1 P11166 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
ALOX5 P09917 2/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
AR P10275 1/20 0.47
FFAR1 O14842 2/20 0.46
PSEN1 P49768 1/20 0.46
SLC6A5 Q9Y345 1/20 0.46
PPARA Q07869 1/20 0.45

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
SCHEMBL4317895 0.88 PTGES (0.48) MAOBPTGESMRGPRX4L3MBTL1SLC2A1
SCHEMBL4316180 0.84 RAB9A (0.61) MAOBSLC2A1MEN1KMT2AAR
SCHEMBL1851802 0.83 PTGES (0.44) PTGESALOX5MEN1KMT2APSEN1
SCHEMBL4317899 0.82 FFAR1 (0.48) MAOBPTGESPTPN1PTPN6PTPN11
SCHEMBL1853816 0.82 PTGES (0.43) PTGESALOX5
SCHEMBL1850966 0.81 L3MBTL1 (0.62) MAOBMRGPRX4L3MBTL1HRH3AR
SCHEMBL1854031 0.80 BCHE (0.66) MAOBARPPARA
SCHEMBL1854444 0.79 PTGES (0.48) PTGESPTPN11MEN1KMT2AFFAR1
SCHEMBL6721633 0.78 MAOB (0.55) MAOBPTPN1PTPN6PTPN11MRGPRX4
SCHEMBL1853577 0.78 PTGES (0.47) PTGESPTPN11FFAR1PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207722-A1 Glepp-1 Inhibitors in the Treatment of Autoimmune and/or Inflammatory Disorders LABORATORIES SERONO SA (CH) 2008-08-28 US claimed
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 US claimed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 US claimed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP claimed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO claimed
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed
US-7592477-B2 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2009-09-22 US disclosed
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP disclosed
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 US disclosed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 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 (3 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-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders TNNI3, TNNT2, ADM2 MAOB 175/4885PTGES 460/4885PTPN1 4016/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 MAOB 1877/4885PTGES 1550/4885PTPN1 23/4885
US-20080207722-A1 Glepp-1 Inhibitors in the Treatment of Autoimmune and/or Inflammatory Disorders PPP1R1B, PPP5C, PPP3CA MAOB 4438/4885PTGES 999/4885PTPN1 366/4885

“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.