SCHEMBL177470

SCHEMBL177470

COC(=O)C1CN(Cc2ccc(-c3ccc(S(=O)(=O)N(C)c4cccc(OC)c4)cc3)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
ESR1 P03372 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ACHE P22303 1/20 0.41
HTT P42858 1/20 0.41
S1PR1 P21453 3/20 0.41
LMNA P02545 2/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
MMP1 P03956 2/20 0.41
MMP9 P14780 2/20 0.41
MMP13 P45452 2/20 0.41
ADAM17 P78536 2/20 0.41
MAPT P10636 2/20 0.41
ABCB1 P08183 1/20 0.41

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
SCHEMBL177154 0.92 S1PR5 (0.49) HSD17B1HSD17B2ACHES1PR1ABCB1
SCHEMBL15512145 0.80 HSD17B1 (0.41) HSD17B1HSD17B2ESR1KMT2AMEN1
SCHEMBL177393 0.80 S1PR1 (0.53) KMT2AMEN1HTTS1PR1MAPT
SCHEMBL177392 0.76 S1PR1 (0.57) KMT2AHTTS1PR1LMNAMAPT
SCHEMBL3036912 0.72 S1PR5 (0.64) KMT2AMEN1S1PR1LMNAMAPT
SCHEMBL177083 0.71 HSD17B1 (0.51) HSD17B1HSD17B2ESR1HTTLMNA
SCHEMBL665429 0.71 TAS2R14 (0.60) HSD17B1HSD17B2ESR1
SCHEMBL10186896 0.70 PGR (0.70) ESR1CYP11B1CYP11B2MAPT
SCHEMBL177536 0.69 PGR (0.55) HSD17B1HSD17B2ESR1HTTLMNA
SCHEMBL6616917 0.68 S1PR5 (0.60) S1PR1MAPT

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-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-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-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
WO-2010043000-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF 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 (3 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 HSD17B1 1744/4885HSD17B2 1933/4885ESR1 1797/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 HSD17B1 1744/4885HSD17B2 1933/4885ESR1 1797/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 HSD17B1 3022/4885HSD17B2 3089/4885ESR1 2088/4885

“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.