SCHEMBL566451

SCHEMBL566451

COc1cccc(N(C)S(=O)(=O)c2ccc(CCC3(N(C(=O)O)C(C)(C)C)COC(C)(C)OC3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.39
TAS2R14 Q9NYV8 4/20 0.38
ESR1 P03372 1/20 0.38
MAPT P10636 3/20 0.37
PGR P06401 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35

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
SCHEMBL565747 0.80 PGR (0.37) LMNATAS2R14ESR1MAPTPGR
SCHEMBL566080 0.71 ESR1 (0.47) LMNATAS2R14ESR1MAPTPGR
SCHEMBL665429 0.69 TAS2R14 (0.60) TAS2R14ESR1PGRALDH1A1
SCHEMBL566524 0.68 S1PR1 (0.43) LMNATAS2R14MAPTALDH1A1SMN1; SMN2
SCHEMBL10186896 0.68 PGR (0.70) TAS2R14ESR1MAPTPGRNR1H3
SCHEMBL177154 0.65 S1PR5 (0.49) TAS2R14
SCHEMBL177536 0.65 PGR (0.55) LMNAESR1PGRALDH1A1MCOLN3
SCHEMBL15512145 0.63 HSD17B1 (0.41) LMNATAS2R14ESR1MAPTPGR
SCHEMBL177470 0.63 HSD17B1 (0.42) LMNAESR1MAPTMEN1KMT2A
SCHEMBL7822894 0.62 HIF1A (0.57) PGR

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 LMNA 3090/4885TAS2R14 2779/4885ESR1 1004/4885

“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.