SCHEMBL1855807

SCHEMBL1855807

CCCCCCCCC#Cc1coc2ccc(CN(Cc3ccc(C(F)(F)F)cc3)C(=O)C(=O)OCC)cc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.33
FFAR2 O15552 1/20 0.32
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PTGES O14684 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
PLK1 P53350 1/20 0.30
LTB4R2 Q9NPC1 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL1852664 1.00 TRPM8 (0.33) TRPM8FFAR2FFAR1FFAR4NPSR1
SCHEMBL1854543 0.90 FFAR1 (0.35) TRPM8FFAR2FFAR1FFAR4PTGES
SCHEMBL1856164 0.90 FFAR1 (0.35) TRPM8FFAR2FFAR1FFAR4PTGES
SCHEMBL1854015 0.85 PTGES (0.38) TRPM8FFAR1NPSR1PTGESPPARD
SCHEMBL6022105 0.84 FFAR1 (0.32) FFAR1FFAR4
SCHEMBL6719380 0.83 ICMT (0.33)
SCHEMBL1856169 0.83 FFAR1 (0.47) TRPM8FFAR1FFAR4NPSR1PTGES
SCHEMBL1856008 0.83 FFAR1 (0.47) TRPM8FFAR1FFAR4NPSR1PTGES
SCHEMBL1855190 0.83 FFAR1 (0.47) TRPM8FFAR1FFAR4NPSR1PTGES
SCHEMBL4324660 0.83 FFAR1 (0.47) TRPM8FFAR1FFAR4NPSR1PTGES

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 5 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
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO 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 TRPM8 1887/4885FFAR2 702/4885FFAR1 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.