SCHEMBL4331561

SCHEMBL4331561

CCCCCCCCCCCCNC(=O)c1ccc(CN(Cc2c(CCCC)oc3ccccc23)C(=O)C(=O)OCC)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
SIRT3 Q9NTG7 2/20 0.42
NAAA Q02083 1/20 0.41
PTPN1 P18031 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
EYA3 Q99504 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
HDAC3 O15379 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
IDE P14735 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
TLR7 Q9NYK1 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL1856867 0.90 TMEM97 (0.50) TMEM97SIGMAR1SIRT3NAAAPTPN1
SCHEMBL1855758 0.85 LSS (0.44) TMEM97SIGMAR1PTPN1EYA3NR1H4
SCHEMBL5040035 0.84 TMEM97 (0.48) TMEM97SIGMAR1SIRT3NAAAPTPN1
SCHEMBL1851613 0.83 NAAA (0.57) TMEM97SIGMAR1NAAAL3MBTL1HDAC3
SCHEMBL1856766 0.83 NAAA (0.57) TMEM97SIGMAR1NAAAL3MBTL1HDAC3
SCHEMBL1852326 0.83 NAAA (0.57) TMEM97SIGMAR1NAAAL3MBTL1HDAC3
SCHEMBL1860426 0.82 HDAC3 (0.50) TMEM97SIGMAR1SIRT3NAAAPTPN1
Acetic Acid SCHEMBL27738439 0.82 TMEM97 (0.48) TMEM97SIGMAR1SIRT3NAAAPTPN1
SCHEMBL1855320 0.79 NR1H4 (0.43) TMEM97SIGMAR1SIRT3PTPN1L3MBTL1
SCHEMBL1853972 0.77 MLYCD (0.52) TMEM97SIGMAR1NAAAL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592477-B2 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2009-09-22 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 (1 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-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 TMEM97 3884/4885SIGMAR1 4339/4885SIRT3 2645/4885

“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.