SCHEMBL565011

SCHEMBL565011

CC1(C)OCC(CCc2ccc(S(=O)(=O)NC3CCC4CC3C4(C)C)cc2)(NC(=O)O)CO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 4/20 0.37
NAMPT P43490 2/20 0.36
ADAM17 P78536 2/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
TBXA2R P21731 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTGIR P43119 1/20 0.32
G6PD P11413 1/20 0.32
HDAC6 Q9UBN7 2/20 0.32
POLB P06746 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
SCHEMBL177179 0.76 PTGDR (0.42) PTGDRNAMPTALDH1A1CYP1A2CYP3A4
SCHEMBL565835 0.74 ALOX15 (0.54) PTGDRNAMPTALDH1A1LMNACYP1A2
SCHEMBL566001 0.71 PTGDR (0.34) PTGDRNAMPTADAM17G6PD
SCHEMBL177245 0.70 PTGDR (0.39) PTGDRNAMPTALDH1A1CYP1A2CYP3A4
SCHEMBL177141 0.70 APP (0.53) PTGDRNAMPTALDH1A1GAAHTT
SCHEMBL15796719 0.69 CYP4A11 (0.41)
SCHEMBL14721999 0.68 PPARA (0.34) KMT2A
SCHEMBL177109 0.68 PTGDR (0.38) PTGDRNAMPTTBXA2RPTGIR
SCHEMBL589201 0.64 POLB (0.38) ALDH1A1CYP1A2MEN1KMT2AHTT
SCHEMBL16527548 0.63 ESR1 (0.37) ALDH1A1LMNAMEN1GAAKMT2A

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 PTGDR 84/4885NAMPT 1934/4885ADAM17 2035/4885

“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.