SCHEMBL4904604

SCHEMBL4904604

Cc1ccc(Cn2c(-c3cccc(-c4cnn(C(=O)OC(C)(C)C)c4)c3)cc(C(F)(F)F)c(C#N)c2=O)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.41
NR1H3 Q13133 4/20 0.41
RXRA P19793 3/20 0.41
TNKS O95271 6/20 0.35
TNKS2 Q9H2K2 6/20 0.35
ROCK2 O75116 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
AR P10275 2/20 0.33
POLQ O75417 1/20 0.33
CSF1R P07333 1/20 0.32
KIT P10721 1/20 0.32
CHRM1 P11229 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 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
SCHEMBL5598263 0.89 NR1H2 (0.39) NR1H2NR1H3RXRATNKSTNKS2
SCHEMBL4902577 0.85 NR1H2 (0.45) NR1H2NR1H3RXRATNKSTNKS2
SCHEMBL4908434 0.84 RXRA (0.42) NR1H2NR1H3RXRATNKSTNKS2
SCHEMBL14184099 0.83 MEN1 (0.42) NR1H2NR1H3RXRAARPOLQ
SCHEMBL4897419 0.83 NR1H2 (0.42) NR1H2NR1H3RXRATNKSTNKS2
SCHEMBL4899624 0.83 NR1H2 (0.41) NR1H2NR1H3RXRATNKSTNKS2
SCHEMBL4902212 0.82 RXRA (0.44) NR1H2NR1H3RXRAARCHRM1
SCHEMBL4901856 0.81 NR1H2 (0.47) NR1H2NR1H3RXRATNKSTNKS2
SCHEMBL4907972 0.81 NR1H2 (0.41) NR1H2NR1H3RXRATNKSTNKS2
SCHEMBL4907881 0.81 NR1H2 (0.46) NR1H2NR1H3RXRAROCK2CYP3A4

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 5 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
WO-2006025979-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 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.