SCHEMBL3474063

SCHEMBL3474063

OC(c1cc(-c2ccccc2Cl)n(-c2ccc(Br)cc2)n1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.56
PTGS1 P23219 7/20 0.56
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.45
MMP2 P08253 1/20 0.43
PDPK1 O15530 1/20 0.41
FABP3 P05413 1/20 0.38
SNCA P37840 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
SCHEMBL3473973 0.78 RXRA (0.59) PTGS2PTGS1PDPK1
SCHEMBL19205691 0.75 PTGS2 (0.74) PTGS2PTGS1KMT2APDPK1
SCHEMBL3474436 0.74 PTGS2 (0.54) PTGS2PTGS1PDPK1
SCHEMBL5858032 0.73 PTGS2 (0.70) PTGS2PTGS1KMT2AMEN1PDPK1
SCHEMBL18449128 0.71 PTGS2 (0.71) PTGS2PTGS1KMT2APDPK1
SCHEMBL3244766 0.71 PTGS2 (1.00) PTGS2PTGS1PDPK1
SCHEMBL3473709 0.71 KMT2A (0.61) PTGS2KMT2AMEN1FABP3SNCA
SCHEMBL27716914 0.71 KMT2A (0.52) PTGS2PTGS1KMT2AMEN1MMP2
SCHEMBL3472391 0.69 RXRA (0.51) PTGS2PTGS1
SCHEMBL8904051 0.68 PTGS2 (0.69) PTGS2PTGS1PDPK1

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 9 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
CN-101248048-B Imidazole based LXR modulators EXELIXIS INC 2013-08-28 CN 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
CN-101248048-A Imidazole based LXR modulators EXELIXIS INC (US) 2008-08-20 CN 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 PTGS2 1500/4885PTGS1 803/4885KMT2A 2663/4885

“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.