SCHEMBL566795

SCHEMBL566795

CCCCCCCCc1cccc2c1CCN2C(=O)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.44
PRKCG P05129 2/20 0.42
PRKCH P24723 2/20 0.42
PRKCE Q02156 2/20 0.42
PRKCQ Q04759 2/20 0.42
PRKCD Q05655 2/20 0.42
FAAH O00519 1/20 0.41
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT5 Q92993 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
NR1H2 P55055 1/20 0.40

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
SCHEMBL13500034 0.74 ESR1 (0.47)
SCHEMBL565088 0.71 S1PR1 (0.59) PRKCGPRKCHPRKCEPRKCQPRKCD
SCHEMBL30688736 0.70 BRD4 (0.43) FAAH
SCHEMBL31513387 0.66 NOTUM (0.62) NOTUM
SCHEMBL9624253 0.66 LIPG (0.50) FAAHBIDMCL1BCL2L1BAK1
SCHEMBL10341072 0.66 LIPG (0.50) FAAHBIDMCL1BCL2L1BAK1
SCHEMBL9637940 0.66 LIPG (0.50) FAAHBIDMCL1BCL2L1BAK1
SCHEMBL7128578 0.65 BID (0.50) FAAHBIDMCL1BCL2L1BAK1
SCHEMBL7470640 0.64 LIPG (0.47) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL2928588 0.64 GABRA1 (0.65) BIDMCL1BCL2L1BAK1KAT8

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
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 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-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 NOTUM 3100/4885PRKCG 866/4885PRKCH 335/4885

“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.