SCHEMBL1853036

SCHEMBL1853036

CCCCCCCCCCCCNC(=O)c1ccc(CN(C(=O)C(=O)O)C(CC)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
ALDH1A1 P00352 2/20 0.44
MLYCD O95822 1/20 0.44
POLB P06746 1/20 0.44
NAAA Q02083 1/20 0.43
GCGR P47871 5/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
TP53BP1 Q12888 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
PLK1 P53350 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
SLC6A9 P48067 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
NAMPT P43490 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL1853974 0.90 TMEM97 (0.49) TMEM97SIGMAR1ALDH1A1MLYCDNAAA
SCHEMBL1856911 0.88 TMEM97 (0.47) TMEM97SIGMAR1ALDH1A1MLYCDNAAA
SCHEMBL1856769 0.87 NAAA (0.55) TMEM97SIGMAR1MLYCDNAAAL3MBTL1
SCHEMBL4325130 0.87 NAAA (0.55) TMEM97SIGMAR1MLYCDNAAAL3MBTL1
SCHEMBL4315301 0.87 NAAA (0.55) TMEM97SIGMAR1MLYCDNAAAL3MBTL1
SCHEMBL1859089 0.84 TMEM97 (0.48) TMEM97SIGMAR1ALDH1A1MLYCDNAAA
SCHEMBL1851167 0.82 TMEM97 (0.53) TMEM97SIGMAR1ALDH1A1MLYCDPOLB
SCHEMBL1852887 0.82 TMEM97 (0.50) TMEM97SIGMAR1ALDH1A1MLYCDNAAA
SCHEMBL1854991 0.82 TMEM97 (0.50) TMEM97SIGMAR1ALDH1A1MLYCDNAAA
SCHEMBL1851029 0.81 NAAA (0.52) TMEM97SIGMAR1NAAATP53BP1HDAC8

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 TMEM97 3884/4885SIGMAR1 4339/4885ALDH1A1 3733/4885

“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.