SCHEMBL565747

SCHEMBL565747

COc1cccc(N(C)S(=O)(=O)c2ccc(C#CC3(N(C(=O)O)C(C)(C)C)COC(C)(C)OC3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
ESR1 P03372 1/20 0.36
POLB P06746 1/20 0.34
TAS2R14 Q9NYV8 2/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.34
NR1H2 P55055 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33
SLC16A3 O15427 1/20 0.33

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
SCHEMBL566451 0.80 LMNA (0.39) PGRKMT2AMEN1ESR1TAS2R14
SCHEMBL665429 0.69 TAS2R14 (0.60) PGRESR1TAS2R14
SCHEMBL10186896 0.68 PGR (0.70) PGRCA12CA9ESR1TAS2R14
SCHEMBL177536 0.65 PGR (0.55) PGRCA12CA9ESR1POLB
SCHEMBL566381 0.63 TDP1 (0.41) POLB
SCHEMBL566080 0.62 ESR1 (0.47) PGRKMT2AMEN1ESR1TAS2R14
SCHEMBL8553826 0.61 DAGLA (0.51) PGRMAPTL3MBTL1
SCHEMBL177083 0.61 HSD17B1 (0.51) PGRESR1POLBLMNAL3MBTL1
SCHEMBL7821015 0.60 PGR (0.44) PGRESR1POLBMAPTLMNA
SCHEMBL177154 0.60 S1PR5 (0.49) TAS2R14

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 PGR 654/4885CA12 4777/4885CA1 4809/4885

“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.