SCHEMBL3376209

SCHEMBL3376209

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 1/20 0.46
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.40
ADORA2A P29274 1/20 0.39
PGR P06401 2/20 0.38
NR1H3 Q13133 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
HSPA1A P0DMV8 1/20 0.36
PABPC1 P11940 1/20 0.36

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
SCHEMBL3377234 0.89 CCR9 (0.48) CCR9HPGDKDM4EALDH1A1ADORA2A
SCHEMBL3376155 0.86 CCR9 (0.43) CCR9HPGDKDM4EALDH1A1ADORA2A
SCHEMBL3375918 0.86 CCR9 (0.48) CCR9HPGDKDM4EALDH1A1ADORA2A
SCHEMBL3377819 0.84 ADORA2A (0.39) CCR9HPGDKDM4EALDH1A1ADORA2A
SCHEMBL3377829 0.84 ADORA2A (0.39) CCR9HPGDKDM4EALDH1A1ADORA2A
SCHEMBL3377868 0.84 LMNA (0.49) CCR9ALDH1A1
SCHEMBL4432198 0.77 HSPA1A (0.61) CCR9HPGDKDM4EALDH1A1ADORA2A
SCHEMBL3376342 0.76 CCR9 (0.47) CCR9HPGDKDM4EADORA2ACYP2D6
SCHEMBL4419914 0.76 CCR9 (0.47) CCR9HPGDKDM4EADORA2APGR
SCHEMBL30758589 0.75 KMT2A (0.57) KDM4EALDH1A1PGRNR1H3KMT2A

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 CCR9 4535/4885HPGD 2293/4885KDM4E 973/4885

“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.