SCHEMBL17661962

SCHEMBL17661962

NCCC[C@H](N)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.56
▸ SPHK1 Q9NYA1 6/20 0.55
▸ SPHK2 Q9NRA0 1/20 0.54
▸ S1PR1 P21453 3/20 0.47
▸ S1PR3 Q99500 3/20 0.47
▸ S1PR4 O95977 2/20 0.47
▸ S1PR5 Q9H228 2/20 0.47
▸ S1PR2 O95136 1/20 0.47
▸ MMP2 P08253 2/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ TERT O14746 3/20 0.44
▸ CHEK1 O14757 1/20 0.43
▸ ROCK1 Q13464 1/20 0.42
▸ MYLK4 Q86YV6 1/20 0.42

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
SCHEMBL17637516 1.00 LTA4H (0.56) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL13258710 0.95 LTA4H (0.62) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL26266218 0.87 SPHK1 (0.68) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL16847450 0.85 SPHK1 (0.53) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL24668626 0.83 LTA4H (0.54) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL14956872 0.83 SPHK1 (0.52) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL17201789 0.83 SPHK1 (0.52) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL20164120 0.83 SPHK1 (0.52) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL12634418 0.83 SPHK1 (0.51) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL17801791 0.83 SPHK1 (0.51) LTA4HSPHK1SPHK2S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170360952-A1 BIOMOLECULE CONJUGATES CELGENE CORPORATION 2017-12-21 — — US disclosed
WO-2016054315-A1 METHOD OF CONJUGATING A POLYPEPTIDE MEDIMMUNE, LLC (US) 2016-04-07 — — 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 (1 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-20170360952-A1 BIOMOLECULE CONJUGATES DNPEP, NAPA, NCL LTA4H 2650/4885SPHK1 3799/4885SPHK2 3928/4885

“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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