SCHEMBL1853972

SCHEMBL1853972

CCCCCCCCCCCCNC(=O)c1ccc(CN(Cc2ccc(C(F)(F)F)cc2)C(=O)C(=O)OCC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.52
TMEM97 Q5BJF2 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LSS P48449 1/20 0.47
NAAA Q02083 2/20 0.46
PPARG P37231 2/20 0.46
EPHX2 P34913 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
CA2 P00918 1/20 0.43
NAMPT P43490 1/20 0.43
PLK1 P53350 1/20 0.42
HTT P42858 1/20 0.42
PPARD Q03181 1/20 0.42

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
SCHEMBL1849810 1.00 MLYCD (0.52) MLYCDTMEM97SIGMAR1L3MBTL1LSS
SCHEMBL4317937 0.97 MLYCD (0.49) MLYCDTMEM97SIGMAR1L3MBTL1LSS
SCHEMBL1853034 0.92 TMEM97 (0.47) MLYCDTMEM97SIGMAR1L3MBTL1NAAA
SCHEMBL1854248 0.89 MLYCD (0.49) MLYCDTMEM97SIGMAR1L3MBTL1LSS
SCHEMBL1858884 0.89 MLYCD (0.49) MLYCDTMEM97SIGMAR1L3MBTL1LSS
SCHEMBL1851613 0.89 NAAA (0.57) MLYCDTMEM97SIGMAR1L3MBTL1NAAA
SCHEMBL1852326 0.89 NAAA (0.57) MLYCDTMEM97SIGMAR1L3MBTL1NAAA
SCHEMBL1856766 0.89 NAAA (0.57) MLYCDTMEM97SIGMAR1L3MBTL1NAAA
SCHEMBL1852987 0.87 TMEM97 (0.56) MLYCDTMEM97SIGMAR1L3MBTL1LSS
SCHEMBL1853427 0.87 TMEM97 (0.56) MLYCDTMEM97SIGMAR1L3MBTL1LSS

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 3 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 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-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 MLYCD 251/4885TMEM97 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.