SCHEMBL2386498

SCHEMBL2386498

COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(Oc2ccc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccc(C)cc3C)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.52
NR1H3 Q13133 4/20 0.52
RXRA P19793 3/20 0.52
ALDH1A1 P00352 1/20 0.39
CTSL P07711 5/20 0.39
ITGB1 P05556 2/20 0.39
ITGA4 P13612 2/20 0.39
ITGB7 P26010 2/20 0.39
CTSS P25774 3/20 0.38
CTSK P43235 1/20 0.38
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
CCR2 P41597 2/20 0.37
GPR139 Q6DWJ6 1/20 0.36
CTSB P07858 1/20 0.36
GPR132 Q9UNW8 1/20 0.36
MCL1 Q07820 1/20 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
SCHEMBL2388605 1.00 NR1H2 (0.52) NR1H2NR1H3RXRAALDH1A1CTSL
SCHEMBL2386503 1.00 NR1H2 (0.52) NR1H2NR1H3RXRAALDH1A1CTSL
SCHEMBL2389084 0.91 NR1H2 (0.50) NR1H2NR1H3RXRACTSLCTSS
SCHEMBL2386254 0.91 NR1H2 (0.50) NR1H2NR1H3RXRACTSLCTSS
SCHEMBL2386260 0.91 NR1H2 (0.50) NR1H2NR1H3RXRACTSLCTSS
SCHEMBL2387095 0.90 NR1H2 (0.54) NR1H2NR1H3RXRAALDH1A1CTSL
SCHEMBL2387101 0.90 NR1H2 (0.54) NR1H2NR1H3RXRAALDH1A1CTSL
SCHEMBL2389393 0.90 NR1H2 (0.54) NR1H2NR1H3RXRAALDH1A1CTSL
SCHEMBL2388715 0.89 NR1H2 (0.52) NR1H2NR1H3RXRAALDH1A1CCR2
SCHEMBL2388724 0.89 NR1H2 (0.52) NR1H2NR1H3RXRAALDH1A1CCR2

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 16 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-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 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.