SCHEMBL3376155

SCHEMBL3376155

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 2/20 0.43
DPP8 Q6V1X1 1/20 0.41
ADORA2A P29274 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HSPA1A P0DMV8 1/20 0.37
PABPC1 P11940 1/20 0.37
ALDH1A1 P00352 3/20 0.37
TYMS P04818 1/20 0.37
DPP4 P27487 2/20 0.37
ANPEP P15144 1/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 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
SCHEMBL3377829 0.91 ADORA2A (0.39) CCR9ADORA2AKDM4EHPGDHSPA1A
SCHEMBL3377819 0.91 ADORA2A (0.39) CCR9ADORA2AKDM4EHPGDHSPA1A
SCHEMBL3373545 0.88 CCR9 (0.44) CCR9DPP8ADORA2AKDM4EHPGD
SCHEMBL3376209 0.86 CCR9 (0.46) CCR9ADORA2AKDM4EHPGDHSPA1A
SCHEMBL3376147 0.86 CCR9 (0.44) CCR9DPP8ADORA2AKDM4EHPGD
SCHEMBL3377243 0.84 LMNA (0.47) CCR9ALDH1A1DPP4POLB
SCHEMBL3376897 0.79 ADORA2A (0.40) CCR9ADORA2AKDM4EHPGDHSPA1A
SCHEMBL3374531 0.79 ADORA2A (0.40) CCR9ADORA2AKDM4EHPGDHSPA1A
SCHEMBL3376240 0.78 LMNA (0.45) ALDH1A1TYMSMEN1KMT2APOLB
SCHEMBL3374739 0.78 LMNA (0.45) ALDH1A1TYMSMEN1KMT2APOLB

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 4535/4885DPP8 1462/4885ADORA2A 4559/4885

“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.