SCHEMBL3844555

SCHEMBL3844555

O=C(NCCC(O)P(=O)(O)O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ SLC1A3 P43003 1/20 0.56
▸ SLC1A1 P43005 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ TGM2 P21980 1/20 0.50
▸ KEAP1 Q14145 2/20 0.49
▸ NFE2L2 Q16236 2/20 0.49
▸ KCNA5 P22460 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ FOLH1 Q04609 1/20 0.48
▸ MAPT P10636 1/20 0.48

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
SCHEMBL6703656 0.87 LMNA (0.60) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL7752769 0.84 LMNA (0.67) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL863804 0.82 LMNA (0.65) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL8970913 0.82 LMNA (0.51) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL966270 0.81 LMNA (0.63) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL334927 0.81 SLC1A3 (0.64) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL735799 0.81 SLC1A3 (0.64) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL26630558 0.81 LMNA (0.63) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL334926 0.81 SLC1A3 (0.64) LMNASMN1; SMN2SLC1A3SLC1A1HTT
(Benzyloxycarbonylamino)Methylphosphonic Acid SCHEMBL5586441 0.81 LMNA (0.61) LMNASMN1; SMN2HTTTGM2HSD17B10

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 10 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
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
US-20050070506-A1 Selective s1p1/edg1 receptor agonists DOHERTY GEORGE A (US) 2005-03-31 — — 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
US-20040058894-A1 Selective S1P1/Edg1 receptor agonists DOHERTY GEORGE A (US) 2004-03-25 — — US 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 (3 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 LMNA 3533/4885SMN1; SMN2 2502/4885SLC1A3 2234/4885
US-20040058894-A1 Selective S1P1/Edg1 receptor agonists S1PR1, S1PR3, S1PR2 LMNA 3626/4885SMN1; SMN2 2482/4885SLC1A3 2026/4885
US-20050020837-A1 N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as edg receptor agonists EDNRA, ADGRE5, GPR65 LMNA 4657/4885SMN1; SMN2 4470/4885SLC1A3 549/4885

“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.

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