SCHEMBL3474445

SCHEMBL3474445

CSc1ccc(-c2ccc(-c3cc(C(C)(C)O)nn3-c3ccccc3Cl)s2)cc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.61
NR1H2 P55055 6/20 0.61
NR1H3 Q13133 6/20 0.61
NR3C2 P08235 1/20 0.37
TGFBR1 P36897 1/20 0.36
AR P10275 1/20 0.33
PTGS2 P35354 4/20 0.33
PTGS1 P23219 2/20 0.33
NOTUM Q6P988 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
RORB Q92753 1/20 0.31
SLC16A3 O15427 1/20 0.31
SLC16A1 P53985 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 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
SCHEMBL3472924 0.90 RXRA (0.64) RXRANR1H2NR1H3NR3C2TGFBR1
SCHEMBL3472025 0.88 RXRA (0.66) RXRANR1H2NR1H3NR3C2TGFBR1
SCHEMBL3473059 0.85 RXRA (0.61) RXRANR1H2NR1H3NR3C2TGFBR1
SCHEMBL3474603 0.85 RXRA (0.69) RXRANR1H2NR1H3NR3C2TGFBR1
SCHEMBL3472434 0.85 RXRA (0.69) RXRANR1H2NR1H3NR3C2TGFBR1
SCHEMBL3473199 0.85 RXRA (0.61) RXRANR1H2NR1H3NR3C2TGFBR1
SCHEMBL3475583 0.83 RXRA (0.58) RXRANR1H2NR1H3NR3C2TGFBR1
SCHEMBL3472296 0.83 RXRA (0.61) RXRANR1H2NR1H3NR3C2TGFBR1
SCHEMBL3473593 0.83 RXRA (0.67) RXRANR1H2NR1H3NR3C2TGFBR1
SCHEMBL3472543 0.82 RXRA (0.74) RXRANR1H2NR1H3NR3C2TGFBR1

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 8 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
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
US-20100130617-A1 ETHANOLAMINE MODULATORS OF NMDA RECEPTOR AND MUSCARINIC ACETYLCHOLINE RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2010-05-27 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 (2 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-20100130617-A1 ETHANOLAMINE MODULATORS OF NMDA RECEPTOR AND MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM3, CHRM5, CHRM4 RXRA 505/4885NR1H2 335/4885NR1H3 321/4885
US-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 RXRA 18/4885NR1H2 1/4885NR1H3 2/4885

“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.