SCHEMBL1858424

SCHEMBL1858424

CCCCCCCCCCCc1noc(CCc2ccc(CN(Cc3ccc(C(F)(F)F)cc3)C(=O)C(=O)OCC)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
PLK1 P53350 1/20 0.36
FAAH O00519 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
FFAR1 O14842 1/20 0.35
SPHK1 Q9NYA1 1/20 0.34

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
SCHEMBL1855885 1.00 HDAC1 (0.38) HDAC1HDAC2HDAC8KMT2AMEN1
SCHEMBL1854119 0.89 PLK1 (0.40) HDAC1HDAC2HDAC8KMT2APLK1
SCHEMBL1855520 0.89 PLK1 (0.40) HDAC1HDAC2HDAC8KMT2APLK1
SCHEMBL1854957 0.88 SPHK1 (0.45) KMT2AMEN1SPHK1
SCHEMBL1853726 0.88 SPHK1 (0.45) KMT2AMEN1SPHK1
SCHEMBL1854357 0.87 FAAH (0.46) HDAC1HDAC8PLK1FAAH
SCHEMBL27619605 0.86 L3MBTL1 (0.39) HDAC1HDAC2HDAC8KMT2AMEN1
SCHEMBL1854710 0.86 HDAC1 (0.55) HDAC1HDAC2HDAC8FFAR1SPHK1
SCHEMBL1852710 0.86 FAAH (0.47) HDAC1HDAC8PLK1FAAH
SCHEMBL1855446 0.83 SPHK1 (0.42) HDAC1HDAC8SPHK1

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 5 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
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 disclosed
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 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 HDAC1 2136/4885HDAC2 3297/4885HDAC8 2841/4885

“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.