SCHEMBL1853877

SCHEMBL1853877

CCCCCCCCCCCCOc1ccc(CNCc2ccc(C(F)(F)F)cc2)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.55
PPARD Q03181 4/20 0.44
PPARA Q07869 3/20 0.44
PPARG P37231 2/20 0.44
SCN8A Q9UQD0 1/20 0.44
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
S1PR1 P21453 2/20 0.39
S1PR2 O95136 1/20 0.39
S1PR3 Q99500 1/20 0.39
LPAR2 Q9HBW0 1/20 0.39
FAAH O00519 1/20 0.39
CYP2C9 P11712 1/20 0.38
CACNA1B Q00975 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
SCHEMBL1854704 0.84 SLC2A1 (0.57) SLC2A1SCN8ACNR1CNR2MEN1
SCHEMBL1855967 0.84 SLC2A1 (0.43) SLC2A1PPARDPPARAPPARGCNR1
SCHEMBL1856178 0.81 MEN1 (0.41) SLC2A1PPARDPPARAPPARGCNR1
SCHEMBL1856177 0.81 SLC2A1 (0.40) SLC2A1PPARDPPARAPPARGCNR1
SCHEMBL1857171 0.78 S1PR2 (0.54) SCN8AS1PR1S1PR2S1PR3LPAR2
SCHEMBL4319082 0.78 PPARG (0.43) SLC2A1PPARDPPARAPPARGCNR1
SCHEMBL6721375 0.78 DNM1 (0.35) SLC2A1PPARDPPARASCN8ACNR1
SCHEMBL6022173 0.78 DNM1 (0.35) SLC2A1PPARDPPARASCN8ACNR1
SCHEMBL5047584 0.77 MEN1 (0.42) SLC2A1PPARDPPARAPPARGCNR1
SCHEMBL17202095 0.76 SLC2A1 (0.68) SLC2A1CNR1CNR2MEN1HTT

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 SLC2A1 244/4885PPARD 695/4885PPARA 579/4885

“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.