SCHEMBL566080

SCHEMBL566080

COc1cccc(N(C)S(=O)(=O)c2ccc(CCC(N)(CO)CO)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.47
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 1/20 0.44
PGR P06401 2/20 0.43
TAS2R14 Q9NYV8 4/20 0.42
MCHR1 Q99705 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL665429 0.76 TAS2R14 (0.60) ESR1ALDH1A1PGRTAS2R14HSD17B1
SCHEMBL10186896 0.75 PGR (0.70) ESR1MAPTPGRTAS2R14SMN1; SMN2
SCHEMBL177536 0.74 PGR (0.55) ESR1ALDH1A1LMNAPGRMCOLN3
SCHEMBL566451 0.71 LMNA (0.39) ESR1ALDH1A1LMNAMAPTPGR
SCHEMBL13577036 0.69 PGR (0.52) ESR1ALDH1A1LMNAPGRSMN1; SMN2
SCHEMBL177083 0.69 HSD17B1 (0.51) ESR1ALDH1A1LMNAPGRMCOLN3
SCHEMBL6038092 0.68 ALDH1A1 (0.50) ALDH1A1LMNAMAPTTAS2R14SMN1; SMN2
SCHEMBL177154 0.68 S1PR5 (0.49) S1PR1TAS2R14HSD17B1HSD17B2
SCHEMBL6038082 0.66 ALDH1A1 (0.48) ALDH1A1LMNAMAPTPGRTAS2R14
SCHEMBL19019244 0.66 ALDH1A1 (0.72) ALDH1A1PGR

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 9 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-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
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
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
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 ESR1 1004/4885S1PR1 1/4885S1PR3 3/4885

“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.