SCHEMBL1855944

SCHEMBL1855944

CCCCCCCOc1ccc(C#Cc2ccc(CN(C(=O)C(=O)O)C(CC)c3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.40
FFAR1 O14842 3/20 0.39
PPARG P37231 3/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
LMNA P02545 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
FAAH O00519 1/20 0.39
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
TP53 P04637 2/20 0.38
PLA2G4B P0C869 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL1854186 0.95 PPARG (0.42) FFAR1PPARGPTGESALOX5LMNA
SCHEMBL1857802 0.90 PTPN11 (0.42) ACACBFFAR1PTGESFAAHPPARD
SCHEMBL4318975 0.90 PTPN11 (0.42) ACACBFFAR1PTGESFAAHPPARD
SCHEMBL1856634 0.88 PTGES (0.41) ACACBFFAR1PTGESMMP9PPARD
SCHEMBL1855191 0.87 FFAR1 (0.46) FFAR1PPARGPTGESPPARDPPARA
SCHEMBL1856010 0.87 FFAR1 (0.46) FFAR1PPARGPTGESPPARDPPARA
SCHEMBL4324666 0.87 FFAR1 (0.46) FFAR1PPARGPTGESPPARDPPARA
SCHEMBL4317899 0.86 FFAR1 (0.48) FFAR1PPARGPTGESALOX5
SCHEMBL1853816 0.85 PTGES (0.43) ACACBPPARGPTGESALOX5TP53
SCHEMBL1852712 0.84 PLK1 (0.44) FAAHPPARDPPARA

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 ACACB 204/4885FFAR1 619/4885PPARG 461/4885

“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.