SCHEMBL3473097

SCHEMBL3473097

COC(=O)c1cc(-c2ccc(Br)s2)n(-c2ccncc2)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
PTGS2 P35354 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PTGS1 P23219 2/20 0.41
ALOX5 P09917 1/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMPD1 P17405 1/20 0.37
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36
RPA1 P27694 1/20 0.36
CA9 Q16790 3/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL27716915 0.79 PTGS2 (0.41) PTGS2PTGS1ALOX5ALDH1A1L3MBTL1
SCHEMBL3471470 0.79 RXRA (0.66) RXRANR1H2NR1H3SMN1; SMN2ALDH1A1
SCHEMBL3472169 0.78 NR1H2 (0.71) RXRANR1H2NR1H3PTGS2SMN1; SMN2
SCHEMBL3873187 0.71 SMPD1 (0.51) RXRANR1H2NR1H3PTGS2SMN1; SMN2
SCHEMBL28038235 0.71 SMPD1 (0.67) PTGS2SMN1; SMN2SMPD1TP53MAPT
SCHEMBL3866697 0.69 SMN1; SMN2 (0.46) RXRANR1H2NR1H3PTGS2SMN1; SMN2
SCHEMBL25078324 0.69 ALDH1A1 (0.43) PTGS2SMN1; SMN2ALDH1A1L3MBTL1MAPT
SCHEMBL12361528 0.69 SMN1; SMN2 (0.56) PTGS2SMN1; SMN2PTGS1ALDH1A1L3MBTL1
SCHEMBL15070244 0.68 USP8 (0.46) PTGS2SMN1; SMN2PTGS1ALDH1A1MAPT
SCHEMBL3876521 0.68 SMN1; SMN2 (0.46) RXRANR1H2NR1H3PTGS2SMN1; SMN2

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 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
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

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.