SCHEMBL1860426

SCHEMBL1860426

CCCCCCCCCCCCNC(=O)c1ccc(CNCc2c(CCCC)oc3ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.50
NAAA Q02083 1/20 0.49
HDAC1 Q13547 3/20 0.48
HDAC2 Q92769 3/20 0.48
PTPN1 P18031 4/20 0.47
SIRT3 Q9NTG7 3/20 0.46
EYA3 Q99504 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC8 Q9BY41 1/20 0.44
CA2 P00918 1/20 0.44
TLR7 Q9NYK1 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
MLYCD O95822 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
SCHEMBL5040035 0.85 TMEM97 (0.48) HDAC3NAAAHDAC1HDAC2PTPN1
SCHEMBL5044450 0.85 MAPK14 (0.47) HDAC3HDAC1HDAC2PTPN1SIRT3
SCHEMBL1856867 0.83 TMEM97 (0.50) HDAC3NAAAHDAC1HDAC2PTPN1
SCHEMBL4331561 0.82 TMEM97 (0.45) HDAC3NAAAPTPN1SIRT3EYA3
Acetic Acid SCHEMBL27738439 0.82 TMEM97 (0.48) HDAC3NAAAHDAC1HDAC2PTPN1
SCHEMBL6718542 0.79 NAAA (0.73) HDAC3NAAAHDAC1HDAC2L3MBTL1
SCHEMBL6022117 0.79 PTPN1 (0.51) HDAC3HDAC1HDAC2PTPN1SIRT3
SCHEMBL6726058 0.77 NAAA (0.46) HDAC3NAAAPTPN1SIRT3EYA3
SCHEMBL31314643 0.77 EYA3 (0.72) PTPN1SIRT3EYA3NR1H4
SCHEMBL1853850 0.75 NAAA (0.43) HDAC3NAAAPTPN1SIRT3EYA3

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 HDAC3 1478/4885NAAA 1643/4885HDAC1 2136/4885

“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.