SCHEMBL1765535

SCHEMBL1765535

O=C(OCc1c(F)cccc1F)c1csc(C2CCN(C(=O)Cn3nc(C(F)F)cc3C(F)F)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 3/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FAAH O00519 4/20 0.32
GPR119 Q8TDV5 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31

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
SCHEMBL1765041 0.95 PPARG (0.44) PPARGALDH1A1KDM4EGAAMEN1
SCHEMBL1765111 0.86 PPARG (0.35) PPARGALDH1A1HPGDGAAKMT2A
SCHEMBL1119946 0.86 GAA (0.45) PPARGALDH1A1HPGDKDM4EGAA
SCHEMBL15230716 0.85 GAA (0.38) PPARGALDH1A1HPGDKDM4EGAA
SCHEMBL15446675 0.84 ALDH1A1 (0.43) PPARGALDH1A1HPGDGAAKMT2A
SCHEMBL1119900 0.83 ALDH1A1 (0.36) PPARGALDH1A1HPGDGAAMEN1
SCHEMBL1120023 0.83 ALDH1A1 (0.34) PPARGALDH1A1HPGDGAAKMT2A
SCHEMBL1120218 0.82 ALDH1A1 (0.35) PPARGALDH1A1KDM4EMEN1KMT2A
SCHEMBL15231257 0.82 PPARG (0.38) PPARGALDH1A1HPGDKDM4EGAA
SCHEMBL15231208 0.82 PPARG (0.37) PPARGALDH1A1KDM4EGAAMEN1

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
US-20110124501-A1 Active compound combinations BAYER CROPSCIENCE AG (DE) 2011-05-26 US claimed
WO-2011051243-A1 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AG (DE) 2011-05-05 WO claimed
US-20110124501-A1 Active compound combinations BAYER CROPSCIENCE AG (DE) 2011-05-26 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-20110124501-A1 Active compound combinations CYP51A1, CA4, BROX PPARG 402/4885ALDH1A1 240/4885HPGD 2474/4885

“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.