SCHEMBL1854504

SCHEMBL1854504

CCCCCCCCCCCCNC(=O)c1ccc(-c2ccc(CN(Cc3cccc(Oc4ccccc4)c3)C(=O)C(=O)O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.49
TMEM97 Q5BJF2 2/20 0.49
CETP P11597 1/20 0.48
NAAA Q02083 1/20 0.48
PTGES O14684 2/20 0.48
ALOX5 P09917 1/20 0.46
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
PTAFR P25105 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.43
STAT3 P40763 1/20 0.43

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
SCHEMBL1859810 0.91 NAAA (0.56) SIGMAR1TMEM97NAAAMEN1NPC1
SCHEMBL1854062 0.90 NAAA (0.51) SIGMAR1TMEM97CETPNAAAPTGES
SCHEMBL1851475 0.89 MAPK14 (0.48) SIGMAR1TMEM97PTGESALOX5NPC1
SCHEMBL1854947 0.89 TMEM97 (0.54) SIGMAR1TMEM97NAAAPTGESDRD2
SCHEMBL1855346 0.89 ROCK2 (0.50) SIGMAR1TMEM97CETPNAAADRD2
SCHEMBL1855588 0.87 MEN1 (0.52) PTGESALOX5MEN1NPC1RAB9A
SCHEMBL1856151 0.86 NAAA (0.47) SIGMAR1TMEM97CETPNAAAPTGES
SCHEMBL1851125 0.86 NAAA (0.64) SIGMAR1TMEM97NAAANPC1RAB9A
SCHEMBL1859658 0.86 NAAA (0.64) SIGMAR1TMEM97NAAANPC1RAB9A
SCHEMBL1853512 0.86 NAAA (0.64) SIGMAR1TMEM97NAAANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP 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
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 (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-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders TNNI3, TNNT2, ADM2 SIGMAR1 2165/4885TMEM97 2395/4885CETP 657/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 SIGMAR1 4339/4885TMEM97 3884/4885CETP 184/4885

“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.