SCHEMBL1857017

SCHEMBL1857017

CCCCCCCCCCCCNC(=O)c1cccc(-c2ccc(CN(Cc3ccc(C(F)(F)F)cc3)C(=O)C(=O)O)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.48
TMEM97 Q5BJF2 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
MLYCD O95822 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 2/20 0.44
TP53BP1 Q12888 1/20 0.43
EPHX2 P34913 2/20 0.43
BCL2L1 Q07817 1/20 0.43
MCL1 Q07820 1/20 0.43
ASAH1 Q13510 1/20 0.42
HDAC3 O15379 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41

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
SCHEMBL1861375 1.00 NAAA (0.48) NAAATMEM97SIGMAR1ALDH1A1POLB
SCHEMBL1858157 0.92 TMEM97 (0.53) NAAATMEM97SIGMAR1ALDH1A1POLB
SCHEMBL1853434 0.92 TMEM97 (0.53) NAAATMEM97SIGMAR1ALDH1A1HDAC1
SCHEMBL1855755 0.90 TMEM97 (0.51) TMEM97SIGMAR1MLYCDEPHX2BCL2L1
SCHEMBL1851264 0.89 LSS (0.48) HDAC1EPHX2
SCHEMBL1853427 0.88 TMEM97 (0.56) NAAATMEM97SIGMAR1ALDH1A1MLYCD
SCHEMBL1852987 0.88 TMEM97 (0.56) NAAATMEM97SIGMAR1ALDH1A1MLYCD
SCHEMBL1855680 0.88 TMEM97 (0.49) NAAATMEM97SIGMAR1HDAC1HDAC2
SCHEMBL1853060 0.88 TMEM97 (0.49) NAAATMEM97SIGMAR1HDAC1HDAC2
SCHEMBL1851167 0.86 TMEM97 (0.53) NAAATMEM97SIGMAR1ALDH1A1POLB

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 12 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-1732534-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS Applied Research Systems ARS Holding N.V. (AN) 2006-12-20 EP claimed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO 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 NAAA 684/4885TMEM97 2395/4885SIGMAR1 2165/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 NAAA 1643/4885TMEM97 3884/4885SIGMAR1 4339/4885

“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.