SCHEMBL1857201

SCHEMBL1857201

CCCCCCCCCCCCNC(=O)c1cc(Br)c(CN(Cc2cccc(C(F)(F)F)c2)C(=O)C(=O)O)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.42
TMEM97 Q5BJF2 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
TP53BP1 Q12888 1/20 0.42
NAAA Q02083 1/20 0.42
HDAC6 Q9UBN7 2/20 0.41
LMNA P02545 1/20 0.41
MLYCD O95822 2/20 0.41
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
MEN1 O00255 1/20 0.40
PLA2G1B P04054 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1850905 0.90 TMEM97 (0.46) ALDH1A1POLBMRGPRX4TMEM97SIGMAR1
SCHEMBL1855242 0.90 ALDH1A1 (0.46) ALDH1A1POLBMRGPRX4TMEM97SIGMAR1
SCHEMBL1853372 0.89 ALDH1A1 (0.56) ALDH1A1POLBMRGPRX4TMEM97SIGMAR1
SCHEMBL1851167 0.88 TMEM97 (0.53) ALDH1A1POLBMRGPRX4TMEM97SIGMAR1
SCHEMBL1851514 0.87 NAMPT (0.43) TMEM97SIGMAR1NAAAMLYCDHDAC3
SCHEMBL1854176 0.84 NAAA (0.40) TMEM97SIGMAR1NAAAHDAC1HDAC2
SCHEMBL1858612 0.84 CETP (0.45) TMEM97SIGMAR1NAAAPTGES
SCHEMBL5043673 0.83 ALDH1A1 (0.50) ALDH1A1POLBMRGPRX4TP53BP1NAAA
SCHEMBL1858157 0.83 TMEM97 (0.53) ALDH1A1POLBMRGPRX4TMEM97SIGMAR1
SCHEMBL4312842 0.82 NAAA (0.41) TMEM97SIGMAR1NAAAHDAC6MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ALDH1A1 432/4885POLB 2855/4885MRGPRX4 2442/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 ALDH1A1 3733/4885POLB 4742/4885MRGPRX4 2943/4885

“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.