SCHEMBL2386490

SCHEMBL2386490

CS(=O)(=O)c1ccc(-c2ccc(-c3cc(C(F)(F)F)c(CNC(=N)N)c(=O)n3Cc3ccc(F)cc3F)s2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.60
NR1H2 P55055 5/20 0.60
NR1H3 Q13133 5/20 0.60
ESR1 P03372 1/20 0.38
ESRRG P62508 1/20 0.38
FLT3 P36888 3/20 0.36
KIF11 P52732 2/20 0.35
ELANE P08246 2/20 0.32
PTGS2 P35354 5/20 0.32
PTGS1 P23219 2/20 0.32
KLKB1 P03952 2/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL2389886 0.89 RXRA (0.65) RXRANR1H2NR1H3ESR1ESRRG
SCHEMBL2387977 0.85 RXRA (0.66) RXRANR1H2NR1H3ESR1ESRRG
SCHEMBL2389756 0.83 RXRA (0.63) RXRANR1H2NR1H3ESR1ESRRG
SCHEMBL2388704 0.81 RXRA (0.88) RXRANR1H2NR1H3ESR1ESRRG
SCHEMBL2390204 0.76 RXRA (0.73) RXRANR1H2NR1H3ESR1ESRRG
SCHEMBL2390377 0.75 NR1H2 (1.00) RXRANR1H2NR1H3FLT3
SCHEMBL2389237 0.75 RXRA (0.77) RXRANR1H2NR1H3KIF11PTGS2
SCHEMBL2389375 0.75 RXRA (0.88) RXRANR1H2NR1H3FLT3PTGS2
SCHEMBL2387937 0.74 RXRA (0.78) RXRANR1H2NR1H3FLT3
SCHEMBL2393537 0.74 RXRA (0.70) RXRANR1H2NR1H3ESR1ESRRG

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482366-B2 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2009-01-27 US claimed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US claimed
EP-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 WO claimed
US-20050080111-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2005-04-14 US claimed
US-8013001-B2 Modulators of LXR EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-20100056582-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2010-03-04 US disclosed
US-7482366-B2 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2009-01-27 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
EP-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 WO disclosed
US-20050080111-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2005-04-14 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 (3 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-20080119488-A1 Modulators Of Nuclear Receptors NR1H2, NR0B1, NR1H3 RXRA 20/4885NR1H2 1/4885NR1H3 3/4885
US-20050080111-A1 Modulators of LXR NR1H2, NR1H3, NR1H4 RXRA 16/4885NR1H2 1/4885NR1H3 2/4885
US-20100056582-A1 Modulators of LXR NR1H2, NR1H3, NR1H4 RXRA 16/4885NR1H2 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.