SCHEMBL177513

SCHEMBL177513

CCCOc1ccc(-c2nc(-c3ccc4oc(C(N)(CO)CO)cc4c3)no2)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 1.00
S1PR3 Q99500 4/20 0.72
MAP4K4 O95819 1/20 0.42
PRKCD Q05655 1/20 0.42
MINK1 Q8N4C8 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 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
SCHEMBL29410964 1.00 S1PR1 (1.00) S1PR1S1PR3MAP4K4PRKCDMINK1
SCHEMBL26004417 0.97 S1PR1 (0.95) S1PR1S1PR3MAP4K4PRKCDMINK1
SCHEMBL15662160 0.95 S1PR1 (0.91) S1PR1S1PR3MAP4K4PRKCDMINK1
SCHEMBL15662886 0.94 S1PR1 (0.88) S1PR1S1PR3MAP4K4PRKCDMINK1
SCHEMBL9996208 0.93 S1PR1 (0.86) S1PR1S1PR3
SCHEMBL25596377 0.90 S1PR1 (0.82) S1PR1S1PR3MAP4K4PRKCDMINK1
SCHEMBL15662515 0.90 S1PR1 (0.82) S1PR1S1PR3MAP4K4PRKCDMINK1
SCHEMBL15661823 0.90 S1PR1 (0.82) S1PR1S1PR3MAP4K4PRKCDMINK1
SCHEMBL17797426 0.90 S1PR1 (0.82) S1PR1S1PR3BCHEACHE
SCHEMBL177434 0.90 S1PR1 (0.82) S1PR1S1PR3BCHEACHE

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 33 patents — showing the first 20. 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
EP-2344484-B1 S1P RECEPTORS MODULATORS AND USE THEREOF AKAAL PHARMA PTY LTD (AU) 2016-06-08 EP 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
US-8927553-B2 Deuterium-enriched alkyl sulfonamides and uses thereof DHANOA DALJIT SINGH (US) 2015-01-06 US claimed
US-20140221395-A1 Deuterium-Enriched Alkyl Sulfonamides and Uses Thereof DHANOA DALJIT SINGH (US) 2014-08-07 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
US-20220135666-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH A S1P MODULATOR GLAS USA LLC 2022-05-05 US disclosed
US-9707205-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2017-07-18 US disclosed
US-9707205-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2017-07-18 US disclosed
WO-2017024355-A1 COMPOSITIONS COMPRISING S1P RECEPTOR MODULATORS AKAAL PHARMA PTY LTD (AU) 2017-02-16 WO disclosed
US-9453027-B2 Deuterium-enriched pyridinonecarboxamides and derivatives DHANOA DALJIT SINGH (US) 2016-09-27 US disclosed
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD (AU) 2011-12-29 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
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 (5 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 4/4885MAP4K4 2544/4885
US-20220135666-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH A S1P MODULATOR S1PR2, S1PR1, S1PR4 S1PR1 2/4885S1PR3 5/4885MAP4K4 2827/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 S1PR1 1/4885S1PR3 4/4885MAP4K4 2544/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 S1PR1 1/4885S1PR3 4/4885MAP4K4 2866/4885
US-20140221395-A1 Deuterium-Enriched Alkyl Sulfonamides and Uses Thereof OPRD1, DBH, SNCA S1PR1 3121/4885S1PR3 3061/4885MAP4K4 2836/4885

“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.