SCHEMBL3472590

SCHEMBL3472590

CCOC(=O)c1cc(-c2ccc(-c3cc(C(F)(F)F)nn3-c3ccc(Cl)cc3Cl)s2)cc(S(C)(=O)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.56
NR1H2 P55055 7/20 0.56
NR1H3 Q13133 7/20 0.56
CNR1 P21554 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGS2 P35354 2/20 0.38
PTGS1 P23219 2/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
ALOX5 P09917 1/20 0.37
MARS1 P56192 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
SCHEMBL3472641 0.94 RXRA (0.56) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL15641669 0.81 RXRA (0.82) RXRANR1H2NR1H3CNR1PTGS2
SCHEMBL3471596 0.80 RXRA (0.52) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3471234 0.76 RXRA (0.61) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3472618 0.74 RXRA (0.82) RXRANR1H2NR1H3CNR1PTGS2
SCHEMBL3472796 0.74 RXRA (0.82) RXRANR1H2NR1H3CNR1MARS1
SCHEMBL3471903 0.73 RXRA (0.73) RXRANR1H2NR1H3CNR1PTGS2
SCHEMBL3477576 0.73 RXRA (0.75) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3473831 0.73 NR1H2 (0.76) RXRANR1H2NR1H3CNR1PTGS2
SCHEMBL3471721 0.72 RXRA (1.00) RXRANR1H2NR1H3PTGS2PTGS1

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 2 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-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 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.