SCHEMBL2386372

SCHEMBL2386372

Cc1ccc(Cn2c(-c3ccc(Oc4cccc(C#N)c4)c(C)c3)cc(C(F)(F)F)c(C#N)c2=O)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.52
NR1H3 Q13133 4/20 0.52
RXRA P19793 3/20 0.52
EPAS1 Q99814 5/20 0.41
VEGFA P15692 1/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
P2RX3 P56373 2/20 0.37
MEN1 O00255 1/20 0.37
CNR1 P21554 1/20 0.37
GPR183 P32249 1/20 0.37
CNR2 P34972 1/20 0.37
KMT2A Q03164 1/20 0.37
AR P10275 7/20 0.36

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
SCHEMBL2389162 0.93 NR1H2 (0.51) NR1H2NR1H3RXRACYP3A4CYP2C9
SCHEMBL14944179 0.93 NR1H2 (0.51) NR1H2NR1H3RXRACYP3A4CYP2C9
SCHEMBL2391088 0.92 NR1H2 (0.51) NR1H2NR1H3RXRAEPAS1CYP3A4
SCHEMBL2264390 0.92 NR1H2 (0.62) NR1H2NR1H3RXRAEPAS1VEGFA
SCHEMBL2387552 0.91 NR1H2 (0.52) NR1H2NR1H3RXRACYP3A4CYP2C9
SCHEMBL2387075 0.91 NR1H2 (0.49) NR1H2NR1H3RXRAEPAS1VEGFA
SCHEMBL2389952 0.89 NR1H2 (0.48) NR1H2NR1H3RXRACYP3A4CYP2C9
SCHEMBL2389429 0.89 NR1H2 (0.50) NR1H2NR1H3RXRACYP3A4CYP2C9
SCHEMBL2262136 0.89 NR1H2 (0.60) NR1H2NR1H3RXRAMEN1CNR1
SCHEMBL2385089 0.89 NR1H2 (0.51) NR1H2NR1H3RXRACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013001-B2 Modulators of LXR EXELIXIS, INC. (US) 2011-09-06 US claimed
US-20100056582-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2010-03-04 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-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.