SCHEMBL3377829

SCHEMBL3377829

CCS(=O)(=O)Oc1cccc2c1C(=O)N(c1ccc(C(F)(F)C(F)(F)F)cc1)C2=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 2/20 0.36
TYMS P04818 1/20 0.36
HSPA1A P0DMV8 1/20 0.36
PABPC1 P11940 1/20 0.36
CCR9 P51686 1/20 0.36
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
PGR P06401 1/20 0.34
AHR P35869 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL3377819 0.91 ADORA2A (0.39) ADORA2AKDM4EHPGDALDH1A1TYMS
SCHEMBL3376155 0.91 CCR9 (0.43) ADORA2AKDM4EHPGDALDH1A1TYMS
SCHEMBL3374531 0.89 ADORA2A (0.40) ADORA2AKDM4EHPGDALDH1A1TYMS
SCHEMBL3373596 0.86 DRD2 (0.43) ADORA2AKDM4EHPGDALDH1A1TYMS
SCHEMBL3374739 0.85 LMNA (0.45) ALDH1A1TYMSMEN1KMT2APOLB
SCHEMBL3376209 0.84 CCR9 (0.46) ADORA2AKDM4EHPGDALDH1A1HSPA1A
SCHEMBL3376897 0.80 ADORA2A (0.40) ADORA2AKDM4EHPGDALDH1A1TYMS
SCHEMBL3373545 0.79 CCR9 (0.44) ADORA2AKDM4EHPGDALDH1A1TYMS
SCHEMBL3376240 0.79 LMNA (0.45) ALDH1A1TYMSMEN1KMT2APOLB
SCHEMBL3377243 0.78 LMNA (0.47) ALDH1A1CCR9POLBMAPK1

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-1517886-B1 NOVEL PHTHALAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-11-10 EP disclosed
US-7132455-B2 Phthalamide derivatives BAYER CROPSCIENCE AG (DE) 2006-11-07 US disclosed
US-20060035967-A1 Novel phthalamide derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2006-02-16 US disclosed
EP-1517886-A1 NOVEL PHTHALAMIDE DERIVATIVES Bayer CropScience AG (DE) 2005-03-30 EP disclosed
WO-2004000796-A1 NOVEL PHTHALAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2003-12-31 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-20060035967-A1 Novel phthalamide derivatives HDAC1, HDAC2, CRY1 ADORA2A 4559/4885KDM4E 973/4885HPGD 2293/4885

“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.