SCHEMBL1854015

SCHEMBL1854015

CCCc1ccc(C#Cc2coc3ccc(CN(Cc4ccc(C(F)(F)F)cc4)C(=O)C(=O)OCC)cc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.38
AKR1C3 P42330 1/20 0.34
TRPM8 Q7Z2W7 2/20 0.33
GPR55 Q9Y2T6 1/20 0.33
MTNR1A P48039 1/20 0.33
PSMB5 P28074 1/20 0.33
CETP P11597 1/20 0.33
FFAR1 O14842 1/20 0.32
ACACB O00763 2/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL1852638 0.90 PTGES (0.42) PTGESAKR1C3MTNR1AFFAR1ACACB
SCHEMBL1855126 0.86 PTGES (0.43) PTGESAKR1C3TRPM8PSMB5CETP
SCHEMBL1855807 0.85 TRPM8 (0.33) PTGESTRPM8FFAR1PPARDPPARA
SCHEMBL1852664 0.85 TRPM8 (0.33) PTGESTRPM8FFAR1PPARDPPARA
SCHEMBL4671672 0.83 FFAR1 (0.38) PTGESMTNR1APSMB5FFAR1ACACB
SCHEMBL5140004 0.82 PTGES (0.35) PTGESAKR1C3MTNR1APSMB5FFAR1
SCHEMBL1856632 0.81 PTGES (0.42) PTGESAKR1C3TRPM8PSMB5FFAR1
SCHEMBL1858001 0.81 MAPT (0.36) TRPM8CETPPPARDPPARANPSR1
SCHEMBL1857800 0.80 PTPN11 (0.43) PTGESFFAR1NPSR1
SCHEMBL4318974 0.80 PTPN11 (0.43) PTGESFFAR1NPSR1

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 PTGES 1550/4885AKR1C3 2134/4885TRPM8 1887/4885

“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.