SCHEMBL9996170

SCHEMBL9996170

COc1ccc(-c2nc(-c3ccc4oc(C(N)(CO)CO)cc4c3)no2)cc1OC

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.80
S1PR3 Q99500 1/20 0.80
SMN1; SMN2 Q16637 6/20 0.54
NPC1 O15118 6/20 0.53
MAPT P10636 4/20 0.53
TSHR P16473 4/20 0.51
RAB9A P51151 4/20 0.51
KDM4E B2RXH2 4/20 0.51
HSD17B10 Q99714 4/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 3/20 0.50
TPH1 P17752 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
PPARG P37231 1/20 0.50
NCOA2 Q15596 1/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
HPGD P15428 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL15662643 0.94 S1PR1 (0.91) S1PR1S1PR3SMN1; SMN2NPC1MAPT
SCHEMBL15397650 0.93 S1PR1 (0.93) S1PR1S1PR3SMN1; SMN2NPC1MAPT
SCHEMBL15703216 0.92 S1PR1 (0.80) S1PR1S1PR3SMN1; SMN2NPC1MAPT
Hydrochloric Acid SCHEMBL9996181 0.92 S1PR1 (0.91) S1PR1S1PR3SMN1; SMN2NPC1MAPT
SCHEMBL9996182 0.92 S1PR1 (0.80) S1PR1S1PR3SMN1; SMN2NPC1MAPT
SCHEMBL15661194 0.92 S1PR1 (0.74) S1PR1S1PR3SMN1; SMN2NPC1MAPT
SCHEMBL177230 0.91 S1PR1 (0.82) S1PR1S1PR3SMN1; SMN2NPC1MAPT
SCHEMBL15703182 0.90 S1PR1 (0.66) S1PR1S1PR3SMN1; SMN2NPC1MAPT
SCHEMBL176871 0.89 S1PR1 (1.00) S1PR1S1PR3SMN1; SMN2NPC1MAPT
SCHEMBL17797415 0.87 S1PR1 (0.65) S1PR1S1PR3SMN1; SMN2NPC1MAPT

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 10 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 claimed
US-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD. (AU) 2016-02-11 US claimed
US-9193716-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2015-11-24 US claimed
WO-2014063199-A1 ORGANIC COMPOUNDS AKAAL PHARMA PTY LTD (AU) 2014-05-01 WO claimed
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD. (AU) 2014-03-06 US claimed
US-8592399-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2013-11-26 US claimed
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD (AU) 2011-12-29 US claimed
WO-2017024355-A1 COMPOSITIONS COMPRISING S1P RECEPTOR MODULATORS AKAAL PHARMA PTY LTD (AU) 2017-02-16 WO disclosed
WO-2014063199-A1 ORGANIC COMPOUNDS AKAAL PHARMA PTY LTD (AU) 2014-05-01 WO disclosed
WO-2014063199-A1 ORGANIC COMPOUNDS AKAAL PHARMA PTY LTD (AU) 2014-05-01 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 S1PR1 1/4885S1PR3 4/4885SMN1; SMN2 3064/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 S1PR1 1/4885S1PR3 4/4885SMN1; SMN2 3064/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 S1PR1 1/4885S1PR3 4/4885SMN1; SMN2 2073/4885

“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.