SCHEMBL773864

SCHEMBL773864

CCCCCOc1ccc(CC[C@@](C)(N)COP(=O)(O)O)cc1

nearest known ligand 0.98

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.98
S1PR3 Q99500 18/20 0.98
S1PR4 O95977 12/20 0.98
S1PR5 Q9H228 11/20 0.98
S1PR2 O95136 2/20 0.58

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
SCHEMBL4817298 0.99 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL4817638 0.99 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL12084862 0.99 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL3726781 0.90 S1PR1 (0.80) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL13614240 0.88 S1PR1 (0.81) S1PR1S1PR3S1PR4S1PR5
SCHEMBL4825689 0.88 S1PR1 (0.78) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL4821551 0.87 S1PR1 (0.80) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL6428128 0.87 S1PR1 (0.76) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL4821435 0.87 S1PR1 (0.76) S1PR1S1PR3S1PR4S1PR5
SCHEMBL4809850 0.87 S1PR1 (0.79) S1PR1S1PR3S1PR4S1PR5S1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150087720-A1 Dosage Regimen of an S1P Receptor Agonist NOVARTIS AG (CH) 2015-03-26 US claimed
US-20120071446-A1 DOSAGE REGIMEN OF AN S1P RECEPTOR AGONIST KOVARIK JOHN M (CH) 2012-03-22 US claimed
US-7910741-B2 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2011-03-22 US claimed
US-20090275553-A1 DOSAGE REGIMEN OF AN S1P RECEPTOR AGONIST KOVARIK JOHN M 2009-11-05 US claimed
US-20080221200-A1 Combination of Organic Compounds ALLISON MALCOLM 2008-09-11 US claimed
EP-1940388-A2 DPP IV INHIBTOR FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AND GRAFT REJECTION Novartis AG (CH) 2008-07-09 EP claimed
WO-2007041368-A2 DPP IV INHIBITOR FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AND GRAFT REJECTION NOVARTIS AG (CH) 2007-04-12 WO claimed
US-20040067853-A1 Sulfonamide derivative-containing agricultural and horticultural composition NAKAYAMA MASAHARU (JP) 2004-04-08 US claimed
US-20040023938-A1 Sulfonamide derivatives TABUCHI TAKANORI (JP) 2004-02-05 US claimed
EP-1351570-A1 SULFONAMIDE DERIVATIVE-CONTAINING AGRICULTURAL AND HORTICULTURAL COMPOSITION Sumitomo Chemical Takeda Agro Company, Limited (JP) 2003-10-15 EP claimed
WO-2002054867-A1 SULFONAMIDE DERIVATIVE-CONTAINING AGRICULTURAL AND HORTICULTURAL COMPOSITION SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2002-07-18 WO claimed
EP-1174028-A1 SULFONAMIDE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-01-23 EP claimed
US-20220031609-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2022-02-03 US disclosed
US-20200237690-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2020-07-30 US disclosed
US-20190175527-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2019-06-13 US disclosed
US-20170290787-A1 Organic Compounds NOVARTIS AG (CH) 2017-10-12 US disclosed
WO-2002076995-A2 2-AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2002-10-03 WO disclosed
WO-2002054867-A1 SULFONAMIDE DERIVATIVE-CONTAINING AGRICULTURAL AND HORTICULTURAL COMPOSITION SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2002-07-18 WO disclosed
CN-1349381-A Sulfonamide derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-05-15 CN disclosed
EP-1174028-A1 SULFONAMIDE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-01-23 EP 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 (9 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-20190175527-A1 ORGANIC COMPOUNDS GPR119, OPRM1, FFAR1 S1PR1 33/4885S1PR3 101/4885S1PR4 124/4885
US-20040067853-A1 Sulfonamide derivative-containing agricultural and horticultural composition NAT1, NR4A1, MRM1 S1PR1 671/4885S1PR3 1286/4885S1PR4 1044/4885
US-20080221200-A1 Combination of Organic Compounds DPP4, DPP3, DPP7 S1PR1 1727/4885S1PR3 1326/4885S1PR4 943/4885
US-20040023938-A1 Sulfonamide derivatives FPR1, MRM1, SULT1E1 S1PR1 214/4885S1PR3 427/4885S1PR4 542/4885
US-20220031609-A1 ORGANIC COMPOUNDS GPR119, OPRM1, FFAR1 S1PR1 33/4885S1PR3 101/4885S1PR4 124/4885
US-20090275553-A1 DOSAGE REGIMEN OF AN S1P RECEPTOR AGONIST S1PR1, S1PR2, S1PR4 S1PR1 1/4885S1PR3 5/4885S1PR4 3/4885
US-20150087720-A1 Dosage Regimen of an S1P Receptor Agonist S1PR1, S1PR2, S1PR4 S1PR1 1/4885S1PR3 5/4885S1PR4 3/4885
US-20170290787-A1 Organic Compounds GPR119, OPRM1, FFAR1 S1PR1 33/4885S1PR3 101/4885S1PR4 124/4885
US-20200237690-A1 ORGANIC COMPOUNDS GPR119, OPRM1, FFAR1 S1PR1 33/4885S1PR3 101/4885S1PR4 124/4885

“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.