SCHEMBL177536

SCHEMBL177536

COc1cccc(N(C)S(=O)(=O)c2ccc(Br)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.55
ESR1 P03372 1/20 0.52
KEAP1 Q14145 1/20 0.50
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
F2 P00734 1/20 0.46
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44

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
SCHEMBL10186896 0.87 PGR (0.70) PGRESR1KEAP1CYP11B1CYP11B2
SCHEMBL665429 0.82 TAS2R14 (0.60) PGRESR1HSD17B1HSD17B2ALDH1A1
SCHEMBL177083 0.80 HSD17B1 (0.51) PGRESR1KEAP1CYP11B1CYP11B2
SCHEMBL2896312 0.79 CYP2C9 (0.54) HSD17B1HSD17B2HTTCA12CA9
SCHEMBL11174158 0.78 CA12 (0.71) PGRL3MBTL1HTTCA12CA9
SCHEMBL13577036 0.78 PGR (0.52) PGRESR1KEAP1CYP11B1CYP11B2
SCHEMBL12496055 0.77 LMNA (0.56) PGRESR1CYP11B1CYP11B2HTT
SCHEMBL19019244 0.77 ALDH1A1 (0.72) PGRALDH1A1POLB
SCHEMBL7267305 0.75 PGR (0.82) PGRKEAP1L3MBTL1HTTNPSR1
SCHEMBL566080 0.74 ESR1 (0.47) PGRESR1HSD17B1HSD17B2LMNA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9707205-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2017-07-18 US disclosed
EP-2344484-B1 S1P RECEPTORS MODULATORS AND USE THEREOF AKAAL PHARMA PTY LTD (AU) 2016-06-08 EP disclosed
US-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD. (AU) 2016-02-11 US disclosed
US-9193716-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2015-11-24 US disclosed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD. (AU) 2014-03-06 US disclosed
US-8592399-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2013-11-26 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD (AU) 2011-12-29 US disclosed
EP-2344484-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010043000-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF 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 (4 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-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF S1PR1, S1PR5, S1PR2 PGR 1525/4885ESR1 1797/4885KEAP1 2797/4885
US-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 PGR 654/4885ESR1 1004/4885KEAP1 2512/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 PGR 1525/4885ESR1 1797/4885KEAP1 2797/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 PGR 1676/4885ESR1 2088/4885KEAP1 3810/4885

“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.