SCHEMBL4415893

SCHEMBL4415893

CC(O)CNC(=O)c1ccc(-c2nc(COC3CCN(C(=O)O)CC3)no2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 5/20 0.41
SPHK2 Q9NRA0 4/20 0.41
MCHR1 Q99705 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
S1PR1 P21453 1/20 0.38
SMPD1 P17405 1/20 0.38
GABRA5 P31644 1/20 0.38

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
SCHEMBL13598280 0.89 GPR119 (0.51) SPHK2HDAC6
SCHEMBL4424803 0.87 SPHK1 (0.46) SPHK1SPHK2MCHR1HDAC6S1PR1
SCHEMBL4415854 0.86 SPHK2 (0.55) SPHK1SPHK2MCHR1HDAC6S1PR1
SCHEMBL4415741 0.86 HDAC4 (0.43) SPHK1SPHK2HDAC6ITGB3ITGA2B
SCHEMBL4414279 0.85 HDAC4 (0.46) SPHK1SPHK2MCHR1HDAC6S1PR1
SCHEMBL4424695 0.85 SPHK2 (0.49) SPHK1SPHK2MCHR1HDAC6S1PR1
SCHEMBL4412893 0.81 SPHK1 (0.47) SPHK1SPHK2MCHR1HDAC6
SCHEMBL4422335 0.79 PTGS2 (0.51) SPHK1SPHK2MCHR1
SCHEMBL4416417 0.78 GPR119 (0.55) SPHK2HDAC6
SCHEMBL4412654 0.78 GPR119 (0.40) SPHK1SPHK2MCHR1S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325924-A1 GPCR Agonists PROSIDION LIMITED (GB) 2009-12-31 US 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-20090325924-A1 GPCR Agonists GPR119, GCGR, GPR27 SPHK1 686/4885SPHK2 754/4885MCHR1 159/4885

“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.