SCHEMBL3473103

SCHEMBL3473103

O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
TP53 P04637 2/20 0.54
POLB P06746 3/20 0.53
RORC P51449 2/20 0.51
RXRA P19793 2/20 0.51
NR1H2 P55055 2/20 0.51
NR1H3 Q13133 2/20 0.51
ORAI1 Q96D31 1/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
XBP1 P17861 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
THRB P10828 3/20 0.49
TRPV1 Q8NER1 1/20 0.46
NR3C2 P08235 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 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
SCHEMBL3471277 0.92 MAPT (0.57) MAPTSMN1; SMN2TP53POLBRXRA
SCHEMBL3471938 0.91 ORAI1 (0.60) MAPTSMN1; SMN2TP53POLBRXRA
SCHEMBL3471324 0.90 MAPT (0.59) MAPTSMN1; SMN2TP53POLBRXRA
SCHEMBL3472102 0.90 MAPT (0.61) MAPTSMN1; SMN2TP53POLBRXRA
SCHEMBL3474142 0.90 MAPT (0.59) MAPTSMN1; SMN2TP53POLBRXRA
SCHEMBL3473738 0.89 PTGS2 (0.57) MAPTSMN1; SMN2TP53POLBRXRA
SCHEMBL3472857 0.89 MAPT (0.57) MAPTSMN1; SMN2TP53POLBRXRA
SCHEMBL3471118 0.89 MAPT (0.57) MAPTSMN1; SMN2TP53POLBRXRA
SCHEMBL3473312 0.88 MAPT (0.54) MAPTSMN1; SMN2TP53POLBRXRA
SCHEMBL3475370 0.88 MAPT (0.54) MAPTSMN1; SMN2TP53POLBRXRA

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 MAPT 4737/4885SMN1; SMN2 4666/4885TP53 4318/4885

“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.