SCHEMBL80476

SCHEMBL80476

CCCCCCCCc1ccc(CCC(N)(CO)COP=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 3/20 0.72
SPHK1 Q9NYA1 1/20 0.72
S1PR1 P21453 12/20 0.72
S1PR3 Q99500 11/20 0.72
S1PR4 O95977 7/20 0.72
S1PR5 Q9H228 5/20 0.72
S1PR2 O95136 5/20 0.72
TNNC1 P63316 5/20 0.70
SGPL1 O95470 1/20 0.70
GPR183 P32249 1/20 0.70
CERS2 Q96G23 1/20 0.70
ENPP2 Q13822 1/20 0.59

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
SCHEMBL6130116 1.00 SPHK2 (0.72) SPHK2SPHK1S1PR1S1PR3S1PR4
SCHEMBL6130127 1.00 SPHK2 (0.72) SPHK2SPHK1S1PR1S1PR3S1PR4
SCHEMBL6502029 0.96 SPHK2 (0.67) SPHK2SPHK1S1PR1S1PR3S1PR4
SCHEMBL6507617 0.91 S1PR1 (0.61) SPHK2SPHK1S1PR1S1PR3S1PR4
SCHEMBL6506536 0.91 S1PR1 (0.61) SPHK2SPHK1S1PR1S1PR3S1PR4
SCHEMBL6503026 0.91 S1PR1 (0.65) SPHK2SPHK1S1PR1S1PR3S1PR4
SCHEMBL29386546 0.84 SPHK2 (1.00) SPHK2SPHK1S1PR1S1PR3S1PR4
SCHEMBL20866547 0.84 SPHK2 (1.00) SPHK2SPHK1S1PR1S1PR3S1PR4
SCHEMBL14215854 0.84 SPHK2 (1.00) SPHK2SPHK1S1PR1S1PR3S1PR4
Fty720-P SCHEMBL4267565 0.84 S1PR1 (1.00) SPHK2SPHK1S1PR1S1PR3S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315735-A4 PHOSPHATE DERIVATIVES AS IMMUNOREGULATORY AGENTS MERCK & CO INC (US) 2005-04-06 EP claimed
EP-1315735-A1 PHOSPHATE DERIVATIVES AS IMMUNOREGULATORY AGENTS Merck & Co., Inc. (US) 2003-06-04 EP claimed
US-6437165-B1 USEFUL FOR TREATING IMMUNE MEDIATED DISEASES AND CONDITIONS, SUCH AS BONE MARROW, ORGAN AND TISSUE TRANSPLANT REJECTION. MERCK & CO., INC. 2002-08-20 US claimed
US-20020091105-A1 Phosphate derivatives as immunoregulatory agents MERCK & CO., INC. 2002-07-11 US claimed
WO-2002018395-A1 PHOSPHATE DERIVATIVES AS IMMUNOREGULATORY AGENTS MERCK & CO., INC. (US) 2002-03-07 WO claimed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-02 US disclosed
US-8809304-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US disclosed
EP-2017257-B1 2-AMINOBUTANOL COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-08-06 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8114902-B2 2-aminobutanol compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-02-14 US disclosed
EP-1961734-B1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2011-09-14 EP disclosed
EP-1961734-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-27 EP disclosed
EP-1315735-A4 PHOSPHATE DERIVATIVES AS IMMUNOREGULATORY AGENTS MERCK & CO INC (US) 2005-04-06 EP disclosed
WO-2005014525-A2 BI-ARYL COMPOUND HAVING IMMUNOSUPPRESSIVE ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO disclosed
WO-2005014603-A1 PHOSPHINANE COMPOUNDS WITH IMMUNOMODULATING ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO disclosed
EP-1315735-A1 PHOSPHATE DERIVATIVES AS IMMUNOREGULATORY AGENTS Merck & Co., Inc. (US) 2003-06-04 EP disclosed
US-6437165-B1 USEFUL FOR TREATING IMMUNE MEDIATED DISEASES AND CONDITIONS, SUCH AS BONE MARROW, ORGAN AND TISSUE TRANSPLANT REJECTION. MERCK & CO., INC. 2002-08-20 US disclosed
US-20020091105-A1 Phosphate derivatives as immunoregulatory agents MERCK & CO., INC. 2002-07-11 US disclosed
WO-2002018395-A1 PHOSPHATE DERIVATIVES AS IMMUNOREGULATORY AGENTS MERCK & CO., INC. (US) 2002-03-07 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-20020091105-A1 Phosphate derivatives as immunoregulatory agents ALPP, PPIP5K2, ALPI SPHK2 1601/4885SPHK1 1316/4885S1PR1 382/4885
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES HRH3, HRH2, HRH4 SPHK2 1210/4885SPHK1 1718/4885S1PR1 370/4885

“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.