SCHEMBL3374531

SCHEMBL3374531

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSPA1A P0DMV8 1/20 0.37
PABPC1 P11940 1/20 0.37
ALDH1A1 P00352 3/20 0.37
CCR9 P51686 2/20 0.37
POLB P06746 1/20 0.36
PGR P06401 1/20 0.36
AHR P35869 1/20 0.36
RAB9A P51151 1/20 0.35
TYMS P04818 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
SCN2A Q99250 1/20 0.35
DRD2 P14416 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
SCHEMBL3376897 0.91 ADORA2A (0.40) ADORA2AKDM4EHPGDHSPA1APABPC1
SCHEMBL3373545 0.91 CCR9 (0.44) ADORA2AKDM4EHPGDHSPA1APABPC1
SCHEMBL3377829 0.89 ADORA2A (0.39) ADORA2AKDM4EHPGDHSPA1APABPC1
SCHEMBL3373596 0.88 DRD2 (0.43) ADORA2AKDM4EHPGDHSPA1APABPC1
SCHEMBL3374479 0.84 LMNA (0.47) ALDH1A1POLBTYMS
SCHEMBL3377234 0.84 CCR9 (0.48) ADORA2AKDM4EHPGDHSPA1APABPC1
SCHEMBL3377819 0.80 ADORA2A (0.39) ADORA2AKDM4EHPGDHSPA1APABPC1
SCHEMBL3376155 0.79 CCR9 (0.43) ADORA2AKDM4EHPGDHSPA1APABPC1
SCHEMBL3373168 0.79 HPGD (0.41) ADORA2AKDM4EHPGDHSPA1APABPC1
SCHEMBL3376147 0.79 CCR9 (0.44) ADORA2AKDM4EHPGDHSPA1APABPC1

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-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

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.