SCHEMBL1858482

SCHEMBL1858482

CCCCCCCCCCCCNC(=O)c1ccc(CNC(C)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.50
NAAA Q02083 2/20 0.49
PPARG P37231 3/20 0.48
EPHX2 P34913 2/20 0.48
PPARA Q07869 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LSS P48449 1/20 0.47
HDAC3 O15379 5/20 0.47
PPARD Q03181 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 1/20 0.46
CA2 P00918 1/20 0.46
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL1852144 1.00 MLYCD (0.55) MLYCDL3MBTL1NAAAPPARGEPHX2
SCHEMBL5048823 0.86 NAAA (0.63) MLYCDL3MBTL1NAAASMN1; SMN2HDAC3
SCHEMBL5039785 0.86 NAAA (0.63) MLYCDL3MBTL1NAAASMN1; SMN2HDAC3
SCHEMBL27601086 0.86 NAAA (0.63) MLYCDL3MBTL1NAAASMN1; SMN2HDAC3
SCHEMBL1853826 0.85 MLYCD (0.64) MLYCDL3MBTL1NAAAPPARGEPHX2
SCHEMBL28929298 0.83 MLYCD (0.76) MLYCDL3MBTL1NAAAEPHX2MEN1
SCHEMBL13577932 0.82 MLYCD (0.73) MLYCDL3MBTL1NAAAEPHX2MEN1
SCHEMBL1859906 0.82 MLYCD (0.60) MLYCDL3MBTL1NAAAPPARGEPHX2
SCHEMBL1857658 0.82 MLYCD (0.60) MLYCDL3MBTL1NAAAPPARGEPHX2
SCHEMBL6721904 0.82 MLYCD (0.54) MLYCDL3MBTL1NAAAPPARGEPHX2

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 251/4885L3MBTL1 3623/4885NAAA 1643/4885

“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.