SCHEMBL1853850

SCHEMBL1853850

CCCCCCCCCCCCNC(=O)c1ccc(C(CC)N(Cc2c(CCCC)oc3ccccc23)C(=O)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.43
SIRT3 Q9NTG7 4/20 0.41
EYA3 Q99504 2/20 0.39
PTPN1 P18031 2/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA2 P00918 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
TTR P02766 1/20 0.37
HDAC3 O15379 3/20 0.37
FOLH1 Q04609 2/20 0.37
TLR7 Q9NYK1 1/20 0.37

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 0.83 TMEM97 (0.50) NAAASIRT3EYA3PTPN1TMEM97
SCHEMBL1854032 0.82 LSS (0.41) EYA3PTPN1TMEM97SIGMAR1
SCHEMBL4315301 0.80 NAAA (0.55) NAAATMEM97SIGMAR1NPC1RAB9A
SCHEMBL4325130 0.80 NAAA (0.55) NAAATMEM97SIGMAR1NPC1RAB9A
SCHEMBL1856769 0.80 NAAA (0.55) NAAATMEM97SIGMAR1NPC1RAB9A
SCHEMBL5040035 0.79 TMEM97 (0.48) NAAASIRT3EYA3PTPN1TMEM97
SCHEMBL6726058 0.79 NAAA (0.46) NAAASIRT3EYA3PTPN1NPC1
Acetic Acid SCHEMBL27738439 0.79 TMEM97 (0.48) NAAASIRT3EYA3PTPN1TMEM97
SCHEMBL4331561 0.75 TMEM97 (0.45) NAAASIRT3EYA3PTPN1TMEM97
SCHEMBL1860426 0.75 HDAC3 (0.50) NAAASIRT3EYA3PTPN1TMEM97

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 NAAA 1643/4885SIRT3 2645/4885EYA3 332/4885

“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.