SCHEMBL3473199

SCHEMBL3473199

CSc1ccccc1-c1ccc(-c2cc(C(C)(C)O)nn2-c2ccccc2Cl)s1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.61
NR1H2 P55055 6/20 0.61
NR1H3 Q13133 6/20 0.61
TGFBR1 P36897 1/20 0.35
SLC16A3 O15427 5/20 0.33
SLC16A1 P53985 4/20 0.33
NPC1 O15118 2/20 0.31
ALDH1A1 P00352 2/20 0.31
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NR3C2 P08235 1/20 0.31
FABP3 P05413 1/20 0.31
FABP4 P15090 1/20 0.31
P2RX7 Q99572 2/20 0.31
IDO1 P14902 1/20 0.30
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30

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
SCHEMBL3473072 0.89 RXRA (0.58) RXRANR1H2NR1H3TGFBR1SLC16A3
SCHEMBL3473365 0.86 RXRA (0.67) RXRANR1H2NR1H3TGFBR1SLC16A3
SCHEMBL3472294 0.86 RXRA (0.64) RXRANR1H2NR1H3TGFBR1SLC16A3
SCHEMBL3472296 0.86 RXRA (0.61) RXRANR1H2NR1H3TGFBR1ALDH1A1
SCHEMBL3471068 0.85 RXRA (0.63) RXRANR1H2NR1H3TGFBR1SLC16A3
SCHEMBL3471899 0.85 RXRA (0.69) RXRANR1H2NR1H3TGFBR1SLC16A3
SCHEMBL3474445 0.85 RXRA (0.61) RXRANR1H2NR1H3TGFBR1SLC16A3
SCHEMBL3471639 0.84 RXRA (0.64) RXRANR1H2NR1H3TGFBR1SLC16A3
SCHEMBL3472371 0.84 RXRA (0.61) RXRANR1H2NR1H3TGFBR1SLC16A3
SCHEMBL3472941 0.84 RXRA (0.64) RXRANR1H2NR1H3TGFBR1SLC16A3

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
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 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.