SCHEMBL2389534

SCHEMBL2389534

CCCCCCC(F)(F)c1cc(-c2ccc(-c3cccc(CC(=O)OC)c3)s2)n(Cc2ccc(F)cc2F)c(=O)c1C#N

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.56
NR1H2 P55055 4/20 0.56
NR1H3 Q13133 4/20 0.56
MAPK14 Q16539 2/20 0.33
DHODH Q02127 1/20 0.31
ACKR3 P25106 2/20 0.31
KCNK3 O14649 3/20 0.30
TLR7 Q9NYK1 1/20 0.30
GNRHR P30968 1/20 0.30

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
SCHEMBL2387442 0.90 RXRA (0.69) RXRANR1H2NR1H3MAPK14DHODH
SCHEMBL2388224 0.89 RXRA (0.58) RXRANR1H2NR1H3MAPK14DHODH
SCHEMBL2389217 0.84 RXRA (0.70) RXRANR1H2NR1H3MAPK14KCNK3
SCHEMBL2390225 0.84 RXRA (0.80) RXRANR1H2NR1H3MAPK14KCNK3
SCHEMBL3901273 0.84 RXRA (0.68) RXRANR1H2NR1H3MAPK14GNRHR
SCHEMBL2388663 0.83 RXRA (0.68) RXRANR1H2NR1H3MAPK14KCNK3
SCHEMBL2393537 0.83 RXRA (0.70) RXRANR1H2NR1H3KCNK3
SCHEMBL2387464 0.81 RXRA (0.76) RXRANR1H2NR1H3MAPK14KCNK3
SCHEMBL2388561 0.81 RXRA (0.57) RXRANR1H2NR1H3MAPK14DHODH
SCHEMBL2389536 0.80 RXRA (0.72) RXRANR1H2NR1H3MAPK14GNRHR

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 11 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
WO-2006025979-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 WO 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.