SCHEMBL177232

SCHEMBL177232

CCCOc1ccc(-c2nc(-c3ccc(O)c(I)c3)no2)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.59
SMN1; SMN2 Q16637 1/20 0.46
MAP4K4 O95819 1/20 0.45
PRKCD Q05655 1/20 0.45
MINK1 Q8N4C8 1/20 0.45
S1PR3 Q99500 5/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL15662617 0.95 S1PR1 (0.54) S1PR1SMN1; SMN2MAP4K4PRKCDMINK1
SCHEMBL15662102 0.92 S1PR1 (0.59) S1PR1SMN1; SMN2MAP4K4PRKCDMINK1
SCHEMBL15662883 0.91 SMN1; SMN2 (0.56) S1PR1SMN1; SMN2S1PR3KDM4ENPC1
SCHEMBL9996236 0.88 SMN1; SMN2 (0.61) S1PR1SMN1; SMN2S1PR3KDM4ENPC1
SCHEMBL177604 0.88 S1PR1 (0.53) S1PR1SMN1; SMN2S1PR3BCHEACHE
SCHEMBL15661685 0.87 S1PR1 (0.46) S1PR1SMN1; SMN2S1PR3BCHEACHE
SCHEMBL15661183 0.86 MAP4K4 (0.51) S1PR1SMN1; SMN2MAP4K4PRKCDMINK1
SCHEMBL15662907 0.86 S1PR1 (0.45) S1PR1SMN1; SMN2MAP4K4PRKCDMINK1
SCHEMBL15662890 0.85 SMN1; SMN2 (0.55) S1PR1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL177147 0.85 S1PR1 (0.55) S1PR1MAP4K4PRKCDMINK1S1PR3

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 11 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
WO-2014063199-A1 ORGANIC COMPOUNDS AKAAL PHARMA PTY LTD (AU) 2014-05-01 WO 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
CN-102186845-A S1p receptors modulators and their use thereof AKAAL PHARMA PTY LTD 2011-09-14 CN 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 S1PR1 1/4885SMN1; SMN2 3064/4885MAP4K4 2544/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 S1PR1 1/4885SMN1; SMN2 3064/4885MAP4K4 2544/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 S1PR1 1/4885SMN1; SMN2 2073/4885MAP4K4 2866/4885

“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.