SCHEMBL4317895

SCHEMBL4317895

CCOC(=O)C(=O)N(Cc1ccc(C#Cc2ccc(OCc3ccccc3)cc2)cc1)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.48
MAOB P27338 3/20 0.47
FFAR1 O14842 3/20 0.47
PPARG P37231 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SLC2A1 P11166 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.45
ALOX5 P09917 3/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
TSPO P30536 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PSEN1 P49768 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL1854045 0.88 MAOB (0.50) PTGESMAOBFFAR1L3MBTL1SLC2A1
SCHEMBL1856143 0.86 ALDH1A1 (0.55) MAOBALDH1A1SLC2A1MEN1KMT2A
SCHEMBL1855304 0.85 ACACB (0.42) PTGES
SCHEMBL1855943 0.84 ACACB (0.42) PTGES
SCHEMBL1855126 0.83 PTGES (0.43) PTGESFFAR1MEN1KMT2A
SCHEMBL1856632 0.83 PTGES (0.42) PTGESFFAR1MEN1KMT2APSEN1
SCHEMBL1853499 0.82 KMT2A (0.47) ALDH1A1SLC2A1MEN1KMT2ALMNA
SCHEMBL1857800 0.81 PTPN11 (0.43) PTGESFFAR1
SCHEMBL4318974 0.81 PTPN11 (0.43) PTGESFFAR1
SCHEMBL1850966 0.80 L3MBTL1 (0.62) MAOBL3MBTL1MRGPRX4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTGES 1550/4885MAOB 1877/4885FFAR1 619/4885

“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.