SCHEMBL3587134

SCHEMBL3587134

CC(C)(C)C(C)(CCNCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)NC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.47
PPARA Q07869 4/20 0.44
PPARD Q03181 3/20 0.44
AKR1C3 P42330 1/20 0.42
SCN8A Q9UQD0 1/20 0.42
S1PR2 O95136 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR3 Q99500 1/20 0.41
FFAR1 O14842 1/20 0.39
NAMPT P43490 1/20 0.39
MTOR P42345 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
PPARG P37231 1/20 0.38
LSS P48449 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38

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
SCHEMBL3545215 0.74 S1PR1 (0.48) S1PR1PPARAPPARDAKR1C3SCN8A
SCHEMBL3587137 0.74 S1PR1 (0.46) S1PR1PPARAPPARDAKR1C3SCN8A
SCHEMBL13965833 0.74 SCN8A (0.51) S1PR1SCN8AS1PR2S1PR4S1PR3
SCHEMBL16269079 0.73 MTOR (0.51) S1PR1PPARASCN8AFFAR1NAMPT
SCHEMBL14420391 0.72 HRH4 (0.56) S1PR1SCN8A
SCHEMBL4414015 0.72 SMN1; SMN2 (0.58) S1PR1PPARASCN8AMTORHDAC1
SCHEMBL6419964 0.72 SRD5A2 (0.60) S1PR1PPARAHDAC1HDAC8LSS
SCHEMBL3542893 0.72 SCN8A (0.47) S1PR1PPARAPPARDSCN8A
SCHEMBL3545213 0.72 S1PR1 (0.48) S1PR1PPARAPPARDS1PR2S1PR4
SCHEMBL14021244 0.71 HRH4 (0.50) S1PR1PPARASCN8A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144765-A1 5,6-TRIMETHYLENEPYRIMIDIN-4-ONE COMPOUNDS HICKEY DEIDRE MARY BERNADETTE 2010-06-10 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-20100144765-A1 5,6-TRIMETHYLENEPYRIMIDIN-4-ONE COMPOUNDS PLA2G4A, PLA2G4B, PLA2G1B S1PR1 191/4885PPARA 274/4885PPARD 394/4885

“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.