SCHEMBL449297

SCHEMBL449297

C[C@H](COc1ccc2c(c1)CCC(CN1CC(C(=O)NS(=O)(=O)c3c(F)cccc3F)C1)=C2Cl)Cc1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.62
S1PR3 Q99500 15/20 0.62

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
SCHEMBL453499 0.88 S1PR1 (0.69) S1PR1S1PR3
SCHEMBL447917 0.86 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL675979 0.84 S1PR1 (0.85) S1PR1S1PR3
SCHEMBL676601 0.84 S1PR1 (0.73) S1PR1S1PR3
SCHEMBL677256 0.81 S1PR1 (0.83) S1PR1S1PR3
SCHEMBL12191960 0.78 S1PR1 (0.64) S1PR1S1PR3
SCHEMBL1878714 0.78 S1PR1 (0.67) S1PR1S1PR3
SCHEMBL677240 0.77 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL1875735 0.77 S1PR1 (0.86) S1PR1S1PR3
SCHEMBL677276 0.75 S1PR1 (0.67) S1PR1S1PR3

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US claimed
US-8039674-B2 Amino-substituted cyclic compound for EDG-1(endothelial differentiation gene) and/or EDG-6-mediated diseases; transplant rejection, autoimmune diseases, allergies, asthma, multiple organ failure, ischemia, reperfusion injury, lung or liver fibrosis; antitumor agents ONO PHARMACEUTICAL CO., LTD. (JP) 2011-10-18 US claimed
US-20100151226-A9 Carpet backings prepared from hydroxylated vegetable oil-based polyurethanes UNIVERSAL TEXTILE TECHNOLOGIES 2010-06-17 US claimed
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 US claimed
WO-2007139535-A1 CARPET BACKINGS PREPARED FROM HYDROXYLATED VEGETABLE OIL-BASED POLYURETHANES UNIVERSAL TEXTILE TECHNOLOGIES (US) 2007-12-06 WO claimed
US-20070275227-A1 Carpet backings prepared from hydroxylated vegetable oil-based polyurethanes UNIVERSAL TEXTILE TECHNOLOGIES 2007-11-29 US claimed
EP-1760071-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-07 EP claimed
EP-1127086-B1 IMPROVED CELLULAR PLASTIC MATERIAL URETHANE SOY SYSTEMS CO (US) 2005-01-12 EP claimed
WO-2004071281-A2 SHOE MATERIALS PREPARED FROM VEGETABLE OIL-BASED POLYURETHANES UNIVERSAL TEXTILE TECHNOLOGIES (US) 2004-08-26 WO claimed
WO-2003078493-A2 A CARPET BACKINGS PREPARED FROM VEGETABLE OIL-BASED POLYURETHANES UNIVERSAL TEXTILES TECHNOLOGIES (US) 2003-09-25 WO claimed
US-20030143910-A1 Flexibility; pollution control UNIVERSAL TEXTILE TECHNOLOGIES 2003-07-31 US claimed
US-20020192456-A1 Prepared from polyurethane forming composition which comprises a polyisocyanate and a mixture of a vegetable oil, a cross-linking agent, and a blowing agent UNIVERSAL TEXILE TECHNOLOGIES 2002-12-19 US claimed
US-6465569-B1 FLEXIBLE URETHANE ELASTOMERS AND FOAMS BASED ON DIISOCYANATE, VEGETABLE OIL AND MULTIFUNCTIONAL ALCOHOL CROSSLINKING AGENT; LOW COST; ENVIRONMENTALLY FRIENDLY URETHANE SOY SYSTEMS CO. 2002-10-15 US claimed
EP-1127086-A4 IMPROVED CELLULAR PLASTIC MATERIAL URETHANE SOY SYSTEMS CO (US) 2001-09-19 EP claimed
EP-1127086-A1 IMPROVED CELLULAR PLASTIC MATERIAL Urethane Soy Systems Company Inc. (US) 2001-08-29 EP claimed
US-6180686-B1 POLYURETHANE FOAM MADE FROM RENEWABLE VEGETABLE OIL AND A POLYOL CROSSLINKING AGENT COMERICA BANK 2001-01-30 US claimed
WO-2000015684-A1 IMPROVED CELLULAR PLASTIC MATERIAL URETHANE SOY SYSTEMS COMPANY, INC. (US) 2000-03-23 WO claimed
US-8653305-B2 Compound having S1P receptor binding potency and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-02-18 US disclosed
US-6180686-B1 POLYURETHANE FOAM MADE FROM RENEWABLE VEGETABLE OIL AND A POLYOL CROSSLINKING AGENT COMERICA BANK 2001-01-30 US disclosed
WO-2000015684-A1 IMPROVED CELLULAR PLASTIC MATERIAL URETHANE SOY SYSTEMS COMPANY, INC. (US) 2000-03-23 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 (2 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-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF S1PR1, S1PR3, EDNRA S1PR1 1/4885S1PR3 2/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 S1PR1 1/4885S1PR3 3/4885

“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.