Sugi Predict

Sugi Predict / Compounds / SCHEMBL3471844

SCHEMBL3471844

SCHEMBL3471844

CS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(=O)O)nn3-c3ccccc3C(F)(F)F)s2)c1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 12/20 0.78
▸ NR1H3 Q13133 12/20 0.78
▸ RXRA P19793 8/20 0.78
▸ ALDH1A1 P00352 1/20 0.45
▸ PIK3CA P42336 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ HSD17B1 P14061 1/20 0.41
▸ HSD17B2 P37059 1/20 0.41
▸ FLT3 P36888 1/20 0.40
▸ PTGS2 P35354 2/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ RPA1 P27694 1/20 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
SCHEMBL3474917 0.93 NR1H2 (0.78) NR1H2NR1H3RXRAPIK3CAHSD17B1
SCHEMBL3474920 0.92 NR1H2 (0.76) NR1H2NR1H3RXRAPIK3CAHSD17B1
SCHEMBL3471651 0.90 NR1H2 (0.78) NR1H2NR1H3RXRAALDH1A1PIK3CA
SCHEMBL3471713 0.90 NR1H2 (0.76) NR1H2NR1H3RXRAPIK3CAHSD17B1
SCHEMBL3473568 0.89 NR1H2 (0.73) NR1H2NR1H3RXRAPIK3CAHSD17B1
SCHEMBL16455247 0.88 NR1H2 (0.60) NR1H2NR1H3RXRAALDH1A1PIK3CA
SCHEMBL3474829 0.88 NR1H2 (0.70) NR1H2NR1H3RXRAPIK3CA
SCHEMBL3471414 0.88 RXRA (0.70) NR1H2NR1H3RXRAPIK3CAHSD17B1
SCHEMBL3471038 0.88 NR1H2 (0.73) NR1H2NR1H3RXRAPIK3CAHSD17B1
SCHEMBL3473486 0.88 NR1H2 (1.00) NR1H2NR1H3RXRAPIK3CAFLT3

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 12 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 claimed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 — — US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 — — US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 — — US disclosed
CN-101248048-B Imidazole based LXR modulators EXELIXIS INC 2013-08-28 — — CN disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 — — US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 — — US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 — — US disclosed
CN-101248048-A Imidazole based LXR modulators EXELIXIS INC (US) 2008-08-20 — — CN disclosed
EP-1910307-A1 PYRAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 — — EP disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 — — WO disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 — — 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885RXRA 18/4885

“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.