SCHEMBL3474460

SCHEMBL3474460

Cc1ncsc1CCOC(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
RXRA P19793 3/20 0.47
NR1H2 P55055 3/20 0.47
NR1H3 Q13133 3/20 0.47
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR7 P34969 1/20 0.41
NR3C2 P08235 1/20 0.41
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL3471587 0.84 RXRA (0.52) MAPTRXRANR1H2NR1H3NR3C2
SCHEMBL3473445 0.84 RXRA (0.51) MAPTRXRANR1H2NR1H3SMN1; SMN2
SCHEMBL3474195 0.84 RXRA (0.54) MAPTRXRANR1H2NR1H3SMN1; SMN2
SCHEMBL3472099 0.83 RXRA (0.48) MAPTALDH1A1RXRANR1H2NR1H3
SCHEMBL3472962 0.82 RXRA (0.49) MAPTRXRANR1H2NR1H3NR3C2
SCHEMBL3473315 0.81 RXRA (0.52) MAPTRXRANR1H2NR1H3SMN1; SMN2
SCHEMBL3472800 0.81 RXRA (0.53) MAPTRXRANR1H2NR1H3GAA
SCHEMBL27716977 0.81 RXRA (0.49) MAPTRXRANR1H2NR1H3NR3C2
SCHEMBL3471500 0.81 RXRA (0.51) MAPTALDH1A1RXRANR1H2NR1H3
SCHEMBL3472140 0.81 RXRA (0.59) RXRANR1H2NR1H3NR3C2ALOX5

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 4 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
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 MAPT 4737/4885ALDH1A1 1487/4885RXRA 18/4885

“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.