SCHEMBL1856355

SCHEMBL1856355

CCCCCCCCCCCCOc1ccc(CN(Cc2ccccc2C(F)(F)F)C(=O)C(=O)OCC)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42
CNR1 P21554 3/20 0.41
CNR2 P34972 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
SLC2A1 P11166 2/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP2C9 P11712 1/20 0.39
ACHE P22303 1/20 0.39
PLA2G2D Q9UNK4 1/20 0.36
S1PR1 P21453 1/20 0.35

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
SCHEMBL1853328 0.90 THRA (0.44) THRATHRBCNR1CNR2MEN1
SCHEMBL1856733 0.87 THRA (0.41) THRATHRBCNR1CNR2MEN1
SCHEMBL1859052 0.83 THRA (0.41) THRATHRBSLC6A2SLC6A4SLC6A3
SCHEMBL1854493 0.83 SLC2A1 (0.44) THRATHRBCNR1CNR2MEN1
SCHEMBL6717531 0.81 ACHE (0.44) THRATHRBCNR1CNR2MEN1
SCHEMBL1854704 0.77 SLC2A1 (0.57) THRATHRBCNR1CNR2MEN1
SCHEMBL4319082 0.77 PPARG (0.43) THRATHRBCNR1CNR2MEN1
SCHEMBL1854432 0.76 LTB4R (0.42) THRATHRBCNR1CNR2MEN1
SCHEMBL1854088 0.75 FFAR1 (0.42) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL1849958 0.75 FFAR1 (0.42) MEN1KMT2ASLC6A2SLC6A4SLC6A3

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 THRA 1194/4885THRB 1186/4885CNR1 1761/4885

“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.