SCHEMBL2387196

SCHEMBL2387196

Cc1ccc(Cn2c(-c3ccc(Oc4cccc(C(=O)NCc5ccccc5)c4)cc3)cc(C(F)(F)F)c(C#N)c2=O)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.57
NR1H3 Q13133 3/20 0.57
RXRA P19793 2/20 0.57
AKR1C3 P42330 2/20 0.44
MAPK14 Q16539 5/20 0.42
CHRM3 P20309 1/20 0.40
PPARG P37231 4/20 0.40
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
EPHX2 P34913 2/20 0.40
RAF1 P04049 1/20 0.39
MMP13 P45452 1/20 0.39
AKR1C2 P52895 1/20 0.39
YWHAH Q04917 1/20 0.39
CCR2 P41597 1/20 0.38

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
SCHEMBL2389581 0.90 NR1H2 (0.57) NR1H2NR1H3RXRARAF1MMP13
SCHEMBL2263662 0.89 RXRA (0.62) NR1H2NR1H3RXRAAKR1C3PPARG
SCHEMBL2390347 0.89 RXRA (0.57) NR1H2NR1H3RXRARAF1
SCHEMBL2266030 0.88 NR1H2 (0.58) NR1H2NR1H3RXRA
SCHEMBL2389496 0.88 NR1H2 (0.56) NR1H2NR1H3RXRAPPARGCCR2
SCHEMBL4908631 0.88 NR1H2 (0.56) NR1H2NR1H3RXRAPPARGCCR2
SCHEMBL2263685 0.87 NR1H2 (0.60) NR1H2NR1H3RXRA
SCHEMBL2388605 0.87 NR1H2 (0.52) NR1H2NR1H3RXRACCR2
SCHEMBL2386498 0.87 NR1H2 (0.52) NR1H2NR1H3RXRACCR2
SCHEMBL2386503 0.87 NR1H2 (0.52) NR1H2NR1H3RXRACCR2

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-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
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.