SCHEMBL3076140

SCHEMBL3076140

O=S(=O)(Oc1ccc2ccccc2c1-c1nnc(Cl)c2ccccc12)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
PDE4A P27815 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
MAPT P10636 3/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
APEX1 P27695 1/20 0.31
MAPK1 P28482 1/20 0.31
PMP22 Q01453 1/20 0.31
HSD11B1 P28845 1/20 0.31
SLC2A1 P11166 1/20 0.30
WDR5 P61964 1/20 0.30
NCEH1 Q6PIU2 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
SCHEMBL3073070 0.87 ADORA2A (0.40) ADORA2AADORA1PDE4APDE4CPDE4D
SCHEMBL13138600 0.86 ADORA2A (0.36) ADORA2AADORA1PDE4APDE4CPDE4D
SCHEMBL29560409 0.82 MAPT (0.49) ADORA2AADORA1MAPTNPC1RAB9A
SCHEMBL635407 0.82 MAPT (0.49) ADORA2AADORA1MAPTNPC1RAB9A
SCHEMBL5325182 0.79 CNR1 (0.40) ADORA2AADORA1MAPTNPC1RAB9A
SCHEMBL5325178 0.79 MAPT (0.34) ADORA2AADORA1PDE4APDE4CPDE4D
SCHEMBL9116406 0.79 PTGS2 (0.39) ADORA2AADORA1PDE4APDE4CPDE4D
SCHEMBL5331797 0.79 NPC1 (0.45) NPC1RAB9ALMNAMAPK1
SCHEMBL23581680 0.78 MAPT (0.41) ADORA2AADORA1PDE4APDE4CPDE4D
SCHEMBL12792077 0.78 CCNE2 (0.41) MAPT

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
US-20110054171-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-03 US disclosed
US-7790882-B2 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst Carreira, Erick M. (CH) 2010-09-07 US disclosed
EP-1773853-A1 MONOPHOSPHINE COMPOUNDS, TRANSITION METAL COMPLEXES THEREOF AND PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS USING THE COMPLEXES AS ASYMMETRIC CATALYSTS Sumitomo Chemical Company, Limited (JP) 2007-04-18 EP disclosed
WO-2005121157-A1 MONOPHOSPHINE COMPOUNDS, TRANSITION METAL COMPLEXES THEREOF AND PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS USING THE COMPLEXES AS ASYMMETRIC CATALYSTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-12-22 WO disclosed
US-20050277772-A1 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst Carreira, Erick (CH) 2005-12-15 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 (2 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-20050277772-A1 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst C1R, ARL1, C5 ADORA2A 1158/4885ADORA1 1248/4885PDE4A 4730/4885
US-20110054171-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINES TYR, ARSA, ODC1 ADORA2A 1869/4885ADORA1 699/4885PDE4A 800/4885

“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.