SCHEMBL1851709

SCHEMBL1851709

CCCCCCCCCCCCNC(=O)c1ccc(CN(Cc2ccc(OC(F)(F)F)cc2)C(=O)C(=O)O)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.48
MLYCD O95822 1/20 0.44
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 1/20 0.42
TRPV1 Q8NER1 3/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GLP1R P43220 1/20 0.40
GIPR P48546 1/20 0.40
EPHX2 P34913 2/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
MCHR1 Q99705 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
NCEH1 Q6PIU2 1/20 0.39

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
SCHEMBL4323998 0.91 NAMPT (0.43) GCGRMLYCDHDAC3HDAC1TRPV1
SCHEMBL1853096 0.90 ALDH1A1 (0.46) GCGRTRPV1KDM4EALDH1A1HPGD
SCHEMBL1859353 0.89 MLYCD (0.48) MLYCDALDH1A1PPARGPPARAMCHR1
SCHEMBL1854634 0.88 STAT3 (0.44) HDAC3HDAC1HPGDNCEH1
SCHEMBL1856841 0.86 FOLH1 (0.48) MLYCDHDAC1HPGDNCEH1
SCHEMBL5044219 0.84 MLYCD (0.48) MLYCDHDAC3HDAC1HDAC2TRPV1
SCHEMBL1855242 0.83 ALDH1A1 (0.46) MLYCDHDAC3HDAC1HDAC2ALDH1A1
SCHEMBL1854208 0.83 MLYCD (0.41) GCGRMLYCDEPHX2PPARG
SCHEMBL4330881 0.82 MAPK14 (0.47) TRPV1KDM4EALDH1A1HPGDCYP3A4
SCHEMBL6022083 0.81 TRPV1 (0.48) MLYCDHDAC3HDAC1HDAC2TRPV1

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 10 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
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 GCGR 1074/4885MLYCD 101/4885HDAC3 434/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 GCGR 164/4885MLYCD 251/4885HDAC3 1478/4885

“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.