SCHEMBL3472815

SCHEMBL3472815

Fc1ccc(Cn2nc(-c3ccco3)cc2C(F)(F)F)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.48
ADORA3 P0DMS8 3/20 0.48
ADORA2B P29275 3/20 0.48
ADORA1 P30542 3/20 0.48
ALDH1A1 P00352 7/20 0.44
ALOX15 P16050 4/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GUCY1B2 O75343 1/20 0.42
GUCY1A2 P33402 1/20 0.42
GUCY1A1 Q02108 1/20 0.42
GUCY1B1 Q02153 1/20 0.42
KDM4E B2RXH2 6/20 0.42
HPGD P15428 5/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGS1 P23219 1/20 0.42
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.39

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
SCHEMBL5369670 0.79 ALDH1A1 (0.52) ADORA2AADORA3ADORA2BADORA1ALDH1A1
SCHEMBL3474522 0.79 RXRA (0.52) ADORA2AADORA3ADORA2BADORA1ALDH1A1
SCHEMBL16347308 0.74 ADORA2A (0.47) ADORA2AADORA3ADORA2BADORA1ALDH1A1
SCHEMBL3475580 0.74 NR1H2 (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL21469231 0.73 PTGS1 (0.67) ALDH1A1ALOX15MEN1KMT2AL3MBTL1
SCHEMBL6859115 0.71 ADORA2A (0.52) ADORA2AADORA3ADORA2BADORA1ALDH1A1
SCHEMBL18255 0.70 ALDH1A1 (0.58) ALDH1A1ALOX15MEN1KMT2AL3MBTL1
SCHEMBL3470819 0.69 NR1H2 (0.74) PTGS1
SCHEMBL950699 0.68 ALDH1A1 (0.55) ALDH1A1ALOX15MEN1KMT2AL3MBTL1
SCHEMBL4047913 0.65 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 ADORA2A 455/4885ADORA3 343/4885ADORA2B 405/4885

“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.