Sugi Predict

Sugi Predict / Compounds / SCHEMBL4907552

SCHEMBL4907552

SCHEMBL4907552

Cc1ccc(Cn2c(-c3ccc(Oc4ccc5[nH]c(C(=O)OC(C)C)cc5c4)cc3)cc(C(F)(F)F)c(C#N)c2=O)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 3/20 0.48
▸ NR1H2 P55055 3/20 0.48
▸ NR1H3 Q13133 3/20 0.48
▸ KDM4E B2RXH2 7/20 0.35
▸ XDH P47989 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ GAA P10253 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KDM4A O75164 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HPGD P15428 4/20 0.33
▸ GLA P06280 2/20 0.33

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
SCHEMBL2387472 0.92 RXRA (0.49) RXRANR1H2NR1H3KDM4EXDH
SCHEMBL4897578 0.91 RXRA (0.53) RXRANR1H2NR1H3KDM4EXDH
SCHEMBL4904411 0.90 RXRA (0.48) RXRANR1H2NR1H3KDM4EXDH
SCHEMBL4904765 0.89 RXRA (0.49) RXRANR1H2NR1H3KDM4EXDH
SCHEMBL4899346 0.89 RXRA (0.46) RXRANR1H2NR1H3KDM4EXDH
SCHEMBL4902545 0.89 RXRA (0.47) RXRANR1H2NR1H3KDM4EXDH
SCHEMBL4897266 0.88 RXRA (0.49) RXRANR1H2NR1H3KDM4EXDH
SCHEMBL4897253 0.88 RXRA (0.48) RXRANR1H2NR1H3KDM4EXDH
SCHEMBL4897675 0.88 RXRA (0.46) RXRANR1H2NR1H3KDM4EXDH
SCHEMBL4904619 0.87 RXRA (0.45) RXRANR1H2NR1H3KDM4EXDH

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 8 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
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-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

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 RXRA 20/4885NR1H2 1/4885NR1H3 3/4885

“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.