SCHEMBL3473316

SCHEMBL3473316

O=C(Nc1cccc(S)c1)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.53
NR1H2 P55055 3/20 0.53
NR1H3 Q13133 3/20 0.53
MAPT P10636 8/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 1/20 0.52
POLB P06746 3/20 0.49
NR3C2 P08235 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
NCOR2 Q9Y618 1/20 0.45

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
SCHEMBL3474587 0.91 RXRA (0.55) RXRANR1H2NR1H3MAPTSMN1; SMN2
SCHEMBL3471324 0.90 MAPT (0.59) RXRANR1H2NR1H3MAPTSMN1; SMN2
SCHEMBL3473163 0.90 MAPT (0.62) RXRANR1H2NR1H3MAPTSMN1; SMN2
SCHEMBL3472847 0.90 RXRA (0.54) RXRANR1H2NR1H3MAPTSMN1; SMN2
SCHEMBL3472362 0.90 RXRA (0.54) RXRANR1H2NR1H3MAPTSMN1; SMN2
SCHEMBL3474844 0.89 RXRA (0.55) RXRANR1H2NR1H3MAPTSMN1; SMN2
SCHEMBL14624228 0.89 RXRA (0.53) RXRANR1H2NR1H3MAPTSMN1; SMN2
SCHEMBL3471973 0.89 RXRA (0.55) RXRANR1H2NR1H3MAPTSMN1; SMN2
SCHEMBL3472273 0.89 MAPT (0.56) RXRANR1H2NR1H3MAPTSMN1; SMN2
SCHEMBL3472421 0.88 MAPT (0.55) RXRANR1H2NR1H3MAPTSMN1; 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 7 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
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.