SCHEMBL2266743

SCHEMBL2266743

Cc1cccc(-c2cc(C(F)(F)F)c(C#N)c(=O)n2Cc2cccc(F)c2F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.52
NR1H2 P55055 3/20 0.52
NR1H3 Q13133 3/20 0.52
CXCR2 P25025 3/20 0.46
ALDH1A1 P00352 8/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
AR P10275 1/20 0.41
KDM4E B2RXH2 5/20 0.40
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.38
TNKS O95271 2/20 0.37
TNKS2 Q9H2K2 2/20 0.37
HPGD P15428 3/20 0.36
GLA P06280 2/20 0.36
GAA P10253 2/20 0.36
ATM Q13315 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
SCHEMBL2267957 0.93 RXRA (0.53) RXRANR1H2NR1H3CXCR2ALDH1A1
SCHEMBL2264935 0.93 RXRA (0.57) RXRANR1H2NR1H3CXCR2ALDH1A1
SCHEMBL2263323 0.90 RXRA (0.55) RXRANR1H2NR1H3CXCR2ALDH1A1
SCHEMBL2265737 0.90 RXRA (0.62) RXRANR1H2NR1H3CXCR2ALDH1A1
SCHEMBL2263904 0.89 RXRA (0.55) RXRANR1H2NR1H3CXCR2ALDH1A1
SCHEMBL2263680 0.89 RXRA (0.52) RXRANR1H2NR1H3ALDH1A1POLB
SCHEMBL2261212 0.88 ALDH1A1 (0.52) RXRANR1H2NR1H3ALDH1A1POLB
SCHEMBL2260957 0.87 RXRA (0.58) RXRANR1H2NR1H3CXCR2ALDH1A1
SCHEMBL2263492 0.87 RXRA (0.68) RXRANR1H2NR1H3ALDH1A1POLB
SCHEMBL2264560 0.87 RXRA (0.49) RXRANR1H2NR1H3ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 EP disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 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-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 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.