SCHEMBL2386440

SCHEMBL2386440

CS(=O)(=O)c1ccc(-c2csc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccc(F)cc3F)c2)cc1C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.63
NR1H2 P55055 4/20 0.63
NR1H3 Q13133 4/20 0.63
DDR1 Q08345 2/20 0.35
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.32
DPP4 P27487 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
MAPK14 Q16539 2/20 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
SCHEMBL2390341 0.90 RXRA (0.69) RXRANR1H2NR1H3ALDH1A1KMT2A
SCHEMBL2387993 0.90 RXRA (0.66) RXRANR1H2NR1H3DDR1ALDH1A1
SCHEMBL2390637 0.90 NR1H2 (0.78) RXRANR1H2NR1H3DDR1ALDH1A1
SCHEMBL2387835 0.88 RXRA (0.62) RXRANR1H2NR1H3DDR1ALDH1A1
SCHEMBL2387116 0.88 NR1H2 (0.68) RXRANR1H2NR1H3DDR1ALDH1A1
SCHEMBL14184030 0.87 RXRA (0.58) RXRANR1H2NR1H3ALDH1A1KMT2A
SCHEMBL2386614 0.86 RXRA (0.56) RXRANR1H2NR1H3ALDH1A1KMT2A
SCHEMBL2390312 0.86 RXRA (0.57) RXRANR1H2NR1H3ALDH1A1KMT2A
SCHEMBL2388887 0.86 RXRA (0.66) RXRANR1H2NR1H3DDR1ALDH1A1
SCHEMBL2387168 0.86 RXRA (0.68) RXRANR1H2NR1H3DDR1ALDH1A1

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.