SCHEMBL3473039

SCHEMBL3473039

COc1ccccc1-n1nc(C(F)(F)F)cc1-c1cc(Br)cs1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.43
RXRA P19793 3/20 0.41
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 3/20 0.41
MAPT P10636 4/20 0.40
THRB P10828 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGS1 P23219 3/20 0.39
PTGER1 P34995 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.38
AGER Q15109 1/20 0.38
POLB P06746 2/20 0.37
CACNA1B Q00975 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL3477572 0.82 RXRA (0.54) PTGS2RXRANR1H2NR1H3PTGS1
SCHEMBL14622714 0.82 RXRA (0.41) PTGS2RXRANR1H2NR1H3PTGS1
SCHEMBL3472813 0.79 NR1H2 (0.60) PTGS2RXRANR1H2NR1H3PTGS1
SCHEMBL3471725 0.78 RXRA (0.43) PTGS2RXRANR1H2NR1H3PTGS1
SCHEMBL8689110 0.78 PTGS2 (0.48) PTGS2RXRANR1H2NR1H3PTGS1
SCHEMBL3471396 0.77 PTGS2 (0.36) PTGS2RXRANR1H2NR1H3MAPT
SCHEMBL3471383 0.77 TDP1 (0.40) PTGS2RXRANR1H2NR1H3PTGS1
SCHEMBL15442877 0.75 MAPT (0.52) PTGS2MAPTTHRBSMN1; SMN2PTGS1
SCHEMBL31149016 0.75 MAPT (0.52) PTGS2MAPTTHRBSMN1; SMN2PTGS1
SCHEMBL14996564 0.75 MAPT (0.48) PTGS2MAPTTHRBSMN1; SMN2PTGS1

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 6 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

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 PTGS2 1500/4885RXRA 18/4885NR1H2 1/4885

“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.