SCHEMBL9996209

SCHEMBL9996209

CCOc1ccc(-c2nc(-c3cc4cc(C(N)(CO)CO)oc4cc3Cl)no2)cc1OCC

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.77
S1PR3 Q99500 8/20 0.77
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HSD17B10 Q99714 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
SCHEMBL17797407 0.95 S1PR1 (0.71) S1PR1S1PR3
SCHEMBL17797404 0.91 S1PR1 (0.63) S1PR1S1PR3
SCHEMBL17797406 0.89 S1PR1 (0.60) S1PR1S1PR3SMN1; SMN2KDM4ENPC1
SCHEMBL17805162 0.88 S1PR1 (0.62) S1PR1S1PR3
SCHEMBL176871 0.87 S1PR1 (1.00) S1PR1S1PR3SMN1; SMN2KDM4ENPC1
SCHEMBL9996208 0.84 S1PR1 (0.86) S1PR1S1PR3SMN1; SMN2
SCHEMBL15497196 0.84 S1PR1 (0.60) S1PR1S1PR3SMN1; SMN2KDM4ENPC1
SCHEMBL15499276 0.84 S1PR1 (0.66) S1PR1S1PR3SMN1; SMN2NPC1RAB9A
SCHEMBL15397650 0.83 S1PR1 (0.93) S1PR1S1PR3SMN1; SMN2KDM4ENPC1
Hydrochloric Acid SCHEMBL9996181 0.83 S1PR1 (0.91) S1PR1S1PR3SMN1; SMN2KDM4ENPC1

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.