Sugi Predict

Sugi Predict / Compounds / SCHEMBL3839244

SCHEMBL3839244

SCHEMBL3839244

CCCCCCCCC(O)c1ccc(C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR2 O95136 1/20 0.50
▸ S1PR1 P21453 1/20 0.50
▸ S1PR3 Q99500 1/20 0.50
▸ LPAR2 Q9HBW0 1/20 0.50
▸ CACNA1F O60840 1/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ ADRA2B P18089 1/20 0.46
▸ ADRA2C P18825 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ CACNA1D Q01668 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ CACNA1S Q13698 1/20 0.46
▸ CACNA1C Q13936 1/20 0.46
▸ TYR P14679 1/20 0.46
▸ CA2 P00918 1/20 0.42
▸ PTGER2 P43116 5/20 0.41
▸ TDP1 Q9NUW8 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
SCHEMBL12280336 1.00 S1PR2 (0.50) S1PR2S1PR1S1PR3LPAR2CACNA1F
SCHEMBL5725101 0.98 S1PR2 (0.48) S1PR2S1PR1S1PR3LPAR2CACNA1F
SCHEMBL3911748 0.87 TYR (0.50) S1PR2S1PR1S1PR3LPAR2CACNA1F
SCHEMBL14041461 0.85 LTB4R (0.46) S1PR2S1PR1S1PR3LPAR2CA2
SCHEMBL16612428 0.84 NR1I2 (0.50) S1PR2S1PR1S1PR3LPAR2TYR
SCHEMBL7773019 0.84 S1PR2 (0.45) S1PR2S1PR1S1PR3LPAR2CACNA1F
SCHEMBL14041719 0.83 LTB4R (0.44) S1PR2S1PR1S1PR3LPAR2CA2
SCHEMBL16612380 0.83 NR1I2 (0.49) S1PR2S1PR1S1PR3LPAR2TYR
SCHEMBL16612331 0.83 TYR (0.50) S1PR2S1PR1S1PR3LPAR2TYR
SCHEMBL11982047 0.82 TAS1R3 (0.44) S1PR2S1PR1S1PR3LPAR2CACNA1F

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575964-B1 N-(BENZYL)AMINOALKYL CARBOXYLATE, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG RECEPTOR AGONISTS MERCK & CO INC (US) 2009-11-11 — — EP disclosed
EP-1575964-B1 N-(BENZYL)AMINOALKYL CARBOXYLATE, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG RECEPTOR AGONISTS MERCK & CO INC (US) 2009-11-11 — — EP disclosed
US-7479504-B2 Edg receptor agonists MERCK & CO., INC. (US) 2009-01-20 — — US disclosed
US-7351725-B2 N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as Edg receptor agonists MERCK & CO., INC. (US) 2008-04-01 — — US disclosed
US-7351725-B2 N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as Edg receptor agonists MERCK & CO., INC. (US) 2008-04-01 — — US disclosed
US-7351725-B2 N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as Edg receptor agonists MERCK & CO., INC. (US) 2008-04-01 — — US disclosed
EP-1575964-A4 N-(BENZYL)AMINOALKYL CARBOXYLATE, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG RECEPTOR AGONISTS MERCK & CO INC (US) 2007-04-04 — — EP disclosed
EP-1575964-A2 N-(BENZYL)AMINOALKYL CARBOXYLATE, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG RECEPTOR AGONISTS Merck & Co., Inc. (US) 2005-09-21 — — EP disclosed
EP-1470137-A4 EDG RECEPTOR AGONISTS MERCK & CO INC (US) 2005-06-15 — — EP disclosed
US-20050070506-A1 Selective s1p1/edg1 receptor agonists DOHERTY GEORGE A (US) 2005-03-31 — — US disclosed
US-20050033055-A1 Edg receptor agonists MERCK SHARP & DOHME CORP. 2005-02-10 — — US disclosed
US-20050020837-A1 N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as edg receptor agonists MERCK SHARP & DOHME CORP. 2005-01-27 — — US disclosed
EP-1469863-A2 SELECTIVE S1P1/EDG1 RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-10-27 — — EP disclosed
EP-1470137-A1 EDG RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-10-27 — — EP disclosed
US-20040058894-A1 Selective S1P1/Edg1 receptor agonists DOHERTY GEORGE A (US) 2004-03-25 — — US disclosed
WO-2003062252-A1 EDG RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-07-31 — — WO disclosed
WO-2003061567-A2 SELECTIVE S1P1/EDG1 RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-07-31 — — WO disclosed
WO-2003062248-A2 N-(BENZYL)AMINOALKYLCARBOXYLATES, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-07-31 — — 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 (4 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-20050070506-A1 Selective s1p1/edg1 receptor agonists S1PR1, S1PR3, S1PR5 S1PR2 4/4885S1PR1 1/4885S1PR3 2/4885
US-20040058894-A1 Selective S1P1/Edg1 receptor agonists S1PR1, S1PR3, S1PR2 S1PR2 3/4885S1PR1 1/4885S1PR3 2/4885
US-20050020837-A1 N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as edg receptor agonists EDNRA, ADGRE5, GPR65 S1PR2 525/4885S1PR1 286/4885S1PR3 254/4885
US-20050033055-A1 Edg receptor agonists EDNRA, EDNRB, GPR65 S1PR2 334/4885S1PR1 165/4885S1PR3 219/4885

“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.