SCHEMBL4905944

SCHEMBL4905944

COC(=O)c1cc(-c2cccc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccc(C)cc3C)c2)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.44
NR1H3 Q13133 4/20 0.44
RXRA P19793 3/20 0.44
AR P10275 2/20 0.36
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CFTR P13569 3/20 0.35
KDM4E B2RXH2 3/20 0.34
HPGD P15428 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CCR2 P41597 2/20 0.34
TNKS O95271 2/20 0.33
TNKS2 Q9H2K2 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 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
SCHEMBL4905674 0.88 NR1H2 (0.45) NR1H2NR1H3RXRAARMAPT
SCHEMBL4897697 0.84 NR1H2 (0.47) NR1H2NR1H3RXRAARMAPT
SCHEMBL4906784 0.84 NR1H2 (0.44) NR1H2NR1H3RXRAARMAPT
SCHEMBL4906328 0.84 NR1H2 (0.46) NR1H2NR1H3RXRAARMAPT
SCHEMBL4907807 0.84 NR1H2 (0.47) NR1H2NR1H3RXRAARMAPT
SCHEMBL4906529 0.84 NR1H2 (0.48) NR1H2NR1H3RXRAARMAPT
SCHEMBL2262223 0.84 RXRA (0.50) NR1H2NR1H3RXRAARMAPT
SCHEMBL14184090 0.83 RXRA (0.44) NR1H2NR1H3RXRAMAPTRXFP1
SCHEMBL4897364 0.83 NR1H2 (0.48) NR1H2NR1H3RXRAARMAPT
SCHEMBL4897584 0.83 NR1H2 (0.45) NR1H2NR1H3RXRAARMAPT

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 7 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
WO-2006025979-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 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 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.