SCHEMBL2385098

SCHEMBL2385098

CCc1ccc(Cn2c(-c3ccc(-c4ccc(S(C)(=O)=O)cc4)s3)cc(C(F)(F)F)c(C#N)c2=O)c(F)c1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.73
NR1H3 Q13133 7/20 0.73
RXRA P19793 6/20 0.73
KIF11 P52732 1/20 0.35
FLT3 P36888 6/20 0.35
PTGS2 P35354 3/20 0.33
PTGS1 P23219 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
ESR1 P03372 1/20 0.31
ESRRG P62508 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
SCHEMBL2387015 0.94 NR1H2 (0.84) NR1H2NR1H3RXRAALDH1A1POLB
SCHEMBL2388704 0.91 RXRA (0.88) NR1H2NR1H3RXRAKIF11FLT3
SCHEMBL2387653 0.89 NR1H2 (0.74) NR1H2NR1H3RXRAALDH1A1POLB
SCHEMBL2390333 0.89 RXRA (0.67) NR1H2NR1H3RXRA
SCHEMBL2391065 0.88 RXRA (0.75) NR1H2NR1H3RXRAKIF11FLT3
SCHEMBL2387989 0.87 RXRA (0.80) NR1H2NR1H3RXRAFLT3ALDH1A1
SCHEMBL2390191 0.86 RXRA (0.63) NR1H2NR1H3RXRAALDH1A1POLB
SCHEMBL2387545 0.86 RXRA (0.62) NR1H2NR1H3RXRAALDH1A1POLB
SCHEMBL2387937 0.85 RXRA (0.78) NR1H2NR1H3RXRAFLT3ALDH1A1
SCHEMBL2389485 0.85 RXRA (0.62) NR1H2NR1H3RXRAFLT3PTGS2

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 15 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-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 WO 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 NR1H2 1/4885NR1H3 3/4885RXRA 20/4885
US-20050080111-A1 Modulators of LXR NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885RXRA 16/4885
US-20100056582-A1 Modulators of LXR NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885RXRA 16/4885

“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.