SCHEMBL4906044

SCHEMBL4906044

CCc1cnc(Oc2ccc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccc(C)cc3C)cc2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.53
NR1H3 Q13133 4/20 0.53
RXRA P19793 3/20 0.53
GLA P06280 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
ATM Q13315 1/20 0.34
SCN9A Q15858 5/20 0.33
AR P10275 2/20 0.33
MGAT2 Q10469 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
GRM2 Q14416 2/20 0.33
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL2387415 0.90 NR1H2 (0.59) NR1H2NR1H3RXRAGLAALDH1A1
SCHEMBL2264159 0.90 NR1H2 (0.60) NR1H2NR1H3RXRAGLAALDH1A1
SCHEMBL2266726 0.87 NR1H2 (0.65) NR1H2NR1H3RXRAGLAALDH1A1
SCHEMBL2389140 0.87 NR1H2 (0.56) NR1H2NR1H3RXRAGLAALDH1A1
SCHEMBL2262458 0.86 NR1H2 (0.61) NR1H2NR1H3RXRAGLAALDH1A1
SCHEMBL4901898 0.86 NR1H2 (0.52) NR1H2NR1H3RXRAGLAALDH1A1
SCHEMBL12389486 0.85 RXRA (0.59) NR1H2NR1H3RXRAGLAALDH1A1
SCHEMBL12390653 0.85 NR1H2 (0.60) NR1H2NR1H3RXRAGLAALDH1A1
SCHEMBL2262577 0.85 NR1H2 (0.62) NR1H2NR1H3RXRAGLAALDH1A1
SCHEMBL2262290 0.85 NR1H2 (0.62) NR1H2NR1H3RXRAGLAALDH1A1

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 3 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 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

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.