SCHEMBL2387975

SCHEMBL2387975

N#Cc1c(C(F)(F)F)cc(-c2ccc(-c3cccc(C(=O)O)c3)s2)n(Cc2ccc(F)cc2F)c1=O

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.73
NR1H2 P55055 4/20 0.73
NR1H3 Q13133 4/20 0.73
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ESR1 P03372 1/20 0.40
ESRRG P62508 1/20 0.40
PTGER1 P34995 3/20 0.39
EIF4EBP1 Q13541 5/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
MAPK14 Q16539 1/20 0.35
EP300 Q09472 1/20 0.34
PTGDR Q13258 1/20 0.34
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL2391251 0.93 RXRA (0.70) RXRANR1H2NR1H3HDAC1HDAC6
SCHEMBL14214290 0.92 RXRA (0.81) RXRANR1H2NR1H3MAPK14TNKS
SCHEMBL2388684 0.90 RXRA (0.71) RXRANR1H2NR1H3MAPK14TNKS
SCHEMBL2387464 0.89 RXRA (0.76) RXRANR1H2NR1H3MAPK14TNKS
SCHEMBL2386431 0.88 RXRA (0.77) RXRANR1H2NR1H3MAPK14
SCHEMBL2388165 0.87 RXRA (0.74) RXRANR1H2NR1H3MAPK14TNKS
SCHEMBL2388320 0.87 RXRA (0.79) RXRANR1H2NR1H3MAPK14
SCHEMBL2387822 0.87 RXRA (0.79) RXRANR1H2NR1H3HDAC1HDAC6
SCHEMBL5597940 0.86 RXRA (0.74) RXRANR1H2NR1H3MAPK14TNKS
SCHEMBL2389942 0.85 RXRA (0.71) RXRANR1H2NR1H3HDAC1HDAC6

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-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-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 WO 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.