SCHEMBL3375918

SCHEMBL3375918

O=C1c2cccc(OS(=O)(=O)C(F)(F)F)c2C(=O)N1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 2/20 0.48
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
DRD2 P14416 2/20 0.41
HSPA1A P0DMV8 1/20 0.40
PABPC1 P11940 1/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.39
ADORA2A P29274 1/20 0.38
PGR P06401 2/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35

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 0.88 CCR9 (0.48) CCR9HPGDKDM4EHSPA1APABPC1
SCHEMBL3376209 0.86 CCR9 (0.46) CCR9HPGDKDM4EHSPA1APABPC1
SCHEMBL3376147 0.86 CCR9 (0.44) CCR9HPGDKDM4EDRD2HSPA1A
SCHEMBL3373168 0.84 HPGD (0.41) CCR9HPGDKDM4EDRD2HSPA1A
SCHEMBL3373596 0.84 DRD2 (0.43) CCR9HPGDKDM4EDRD2HSPA1A
SCHEMBL3377842 0.83 LMNA (0.50) CCR9DRD2ALDH1A1
SCHEMBL3376342 0.80 CCR9 (0.47) CCR9HPGDKDM4EHSPA1APABPC1
SCHEMBL4432198 0.79 HSPA1A (0.61) CCR9HPGDKDM4EHSPA1APABPC1
SCHEMBL4419914 0.78 CCR9 (0.47) CCR9HPGDKDM4EHSPA1APABPC1
SCHEMBL30758589 0.77 KMT2A (0.57) KDM4EKMT2AALDH1A1PGRMEN1

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.