SCHEMBL5545902

SCHEMBL5545902

C=CCOC(=O)NCCCCC(N)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 1/20 0.46
▸ SPHK1 Q9NYA1 6/20 0.45
▸ SPHK2 Q9NRA0 1/20 0.42
▸ LTA4H P09960 2/20 0.41
▸ DPP8 Q6V1X1 3/20 0.39
▸ DPP7 Q9UHL4 2/20 0.39
▸ DPP9 Q86TI2 2/20 0.38
▸ S1PR1 P21453 3/20 0.37
▸ S1PR3 Q99500 3/20 0.37
▸ S1PR4 O95977 2/20 0.37
▸ S1PR5 Q9H228 2/20 0.37
▸ S1PR2 O95136 1/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ TGM2 P21980 1/20 0.36

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
SCHEMBL5545897 1.00 ANPEP (0.46) ANPEPSPHK1SPHK2LTA4HDPP8
SCHEMBL15962159 0.84 CSNK2A2 (0.43) ANPEPSPHK1LTA4HS1PR1S1PR3
SCHEMBL26024378 0.81 SPHK1 (0.51) SPHK1SPHK2LTA4HS1PR1S1PR3
SCHEMBL20067638 0.81 SPHK1 (0.49) ANPEPSPHK1SPHK2LTA4HCA12
SCHEMBL16847608 0.79 MAPT (0.49) CA1CA2TGM2
SCHEMBL19017845 0.79 MAPT (0.49) CA1CA2TGM2
SCHEMBL25332972 0.78 SIRT5 (0.40) —
SCHEMBL31123880 0.77 SIRT5 (0.40) TGM2
SCHEMBL18100002 0.77 SIRT2 (0.44) TGM2
SCHEMBL24395095 0.77 SPHK1 (0.57) SPHK1SPHK2LTA4HS1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718340-B1 NEW EFFECTOR CONJUGATES, PROCESS FOR THEIR PRODUCTION AND THEIR PHARMACEUTICAL USE BAYER SCHERING PHARMA AG (DE) 2007-11-21 — — EP disclosed
EP-1718340-A2 NEW EFFECTOR CONJUGATES, PROCESS FOR THEIR PRODUCTION AND THEIR PHARMACEUTICAL USE Schering AG (DE) 2006-11-08 — — EP disclosed
US-20050234247-A1 New effector conjugates, process for their production and their pharmaceutical use SCHERING AG (DE) 2005-10-20 — — US disclosed
WO-2005074901-A2 NEW EFFECTOR CONJUGATES, PROCESS FOR THEIR PRODUCTION AND THEIR PHARMACEUTICAL USE SCHERING AG (DE) 2005-08-18 — — 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-20050234247-A1 New effector conjugates, process for their production and their pharmaceutical use EPOR, TIE1, TEK ANPEP 949/4885SPHK1 2956/4885SPHK2 3066/4885

“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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