SCHEMBL2389304

SCHEMBL2389304

Cc1ccc(Cn2c(-c3ccc(-c4cccc(S(C)(=O)=O)c4)s3)cc(C(F)(F)F)c(C#N)c2=O)c(C)c1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 12/20 0.77
NR1H3 Q13133 12/20 0.77
RXRA P19793 8/20 0.77
PIK3CA P42336 1/20 0.34
RIPK3 Q9Y572 1/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
CTSC P53634 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4897920 0.91 NR1H2 (0.62) NR1H2NR1H3RXRARIPK3KDM4E
SCHEMBL2388215 0.91 NR1H2 (0.62) NR1H2NR1H3RXRAKDM4EALDH1A1
SCHEMBL2390377 0.87 NR1H2 (1.00) NR1H2NR1H3RXRAPIK3CARIPK3
SCHEMBL2391019 0.87 NR1H2 (0.85) NR1H2NR1H3RXRAPIK3CARIPK3
SCHEMBL2388586 0.86 RXRA (0.76) NR1H2NR1H3RXRAPIK3CAKDM4E
SCHEMBL2389145 0.86 RXRA (0.75) NR1H2NR1H3RXRAKDM4EALDH1A1
SCHEMBL2387015 0.85 NR1H2 (0.84) NR1H2NR1H3RXRAPIK3CARIPK3
SCHEMBL4902079 0.85 NR1H2 (0.55) NR1H2NR1H3RXRAKDM4EALDH1A1
SCHEMBL2388657 0.84 RXRA (0.72) NR1H2NR1H3RXRAPIK3CAKDM4E
SCHEMBL2264167 0.83 NR1H2 (0.51) NR1H2NR1H3RXRAKDM4EALDH1A1

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 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.