SCHEMBL4897920

SCHEMBL4897920

Cc1ccc(Cn2c(-c3cccc(-c4cccc(S(C)(=O)=O)c4)c3)cc(C(F)(F)F)c(C#N)c2=O)c(C)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 14/20 0.62
NR1H3 Q13133 13/20 0.62
RXRA P19793 5/20 0.62
RIPK3 Q9Y572 1/20 0.38
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
AR P10275 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL4902079 0.94 NR1H2 (0.55) NR1H2NR1H3RXRAALDH1A1KDM4E
SCHEMBL2389304 0.91 NR1H2 (0.77) NR1H2NR1H3RXRARIPK3ALDH1A1
SCHEMBL2264167 0.89 NR1H2 (0.51) NR1H2NR1H3RXRAALDH1A1KDM4E
SCHEMBL4897697 0.87 NR1H2 (0.47) NR1H2NR1H3RXRAALDH1A1KDM4E
SCHEMBL4901856 0.87 NR1H2 (0.47) NR1H2NR1H3RXRAALDH1A1KDM4E
SCHEMBL5598084 0.87 NR1H2 (0.54) NR1H2NR1H3RXRARIPK3ALDH1A1
SCHEMBL4906529 0.86 NR1H2 (0.48) NR1H2NR1H3RXRAALDH1A1KDM4E
SCHEMBL2263811 0.86 NR1H2 (0.59) NR1H2NR1H3RXRAALDH1A1KDM4E
SCHEMBL4905701 0.85 NR1H2 (0.49) NR1H2NR1H3RXRAALDH1A1KDM4E
SCHEMBL2264745 0.85 NR1H2 (0.49) NR1H2NR1H3RXRAALDH1A1KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US claimed
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-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 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 (1 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

“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.