SCHEMBL10139262

SCHEMBL10139262

CC1(C)C2CCC(CNS(=O)(=O)c3ccc(CCC(N)(CO)CO)cc3)C1C2

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.60
HDAC6 Q9UBN7 3/20 0.45
CNR2 P34972 1/20 0.42
EPHX2 P34913 1/20 0.37
TNNC1 P63316 5/20 0.36
S1PR1 P21453 4/20 0.36
SGPL1 O95470 1/20 0.36
S1PR4 O95977 1/20 0.36
GPR183 P32249 1/20 0.36
CERS2 Q96G23 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
MAPK14 Q16539 1/20 0.35
KMT2A Q03164 1/20 0.35
TBXA2R P21731 2/20 0.34
SCN9A Q15858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL565835 0.84 ALOX15 (0.54) ALOX15HDAC6TNNC1S1PR1SGPL1
SCHEMBL566606 0.75 ALOX15 (1.00) ALOX15HDAC6TNNC1S1PR1SGPL1
Hydrochloric Acid SCHEMBL566330 0.74 ALOX15 (0.98) ALOX15HDAC6TNNC1S1PR1SGPL1
SCHEMBL17244022 0.71 S1PR1 (0.37) ALOX15TNNC1S1PR1SGPL1S1PR4
SCHEMBL3647482 0.68 HDAC6 (0.45) HDAC6CNR2EPHX2MAPK14TBXA2R
SCHEMBL3650543 0.68 HDAC6 (0.45) HDAC6CNR2EPHX2MAPK14TBXA2R
SCHEMBL3645557 0.68 HDAC6 (0.45) HDAC6CNR2EPHX2MAPK14TBXA2R
SCHEMBL177179 0.67 PTGDR (0.42) ALOX15HDAC6TBXA2RALDH1A1
SCHEMBL29309827 0.62 HDAC6 (0.76) ALOX15HDAC6CNR2EPHX2S1PR1
SCHEMBL24105939 0.61 EPHX2 (0.53) HDAC6CNR2EPHX2S1PR1MAPK14

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
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US 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 ALOX15 633/4885HDAC6 2352/4885CNR2 35/4885

“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.