SCHEMBL4415854

SCHEMBL4415854

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

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 4/20 0.55
SPHK1 Q9NYA1 5/20 0.47
HDAC6 Q9UBN7 2/20 0.41
HDAC4 P56524 1/20 0.41
S1PR1 P21453 2/20 0.41
MCHR1 Q99705 2/20 0.40

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
SCHEMBL4424695 0.95 SPHK2 (0.49) SPHK2SPHK1HDAC6S1PR1MCHR1
SCHEMBL4424803 0.91 SPHK1 (0.46) SPHK2SPHK1HDAC6HDAC4S1PR1
SCHEMBL4414279 0.89 HDAC4 (0.46) SPHK2SPHK1HDAC6HDAC4S1PR1
SCHEMBL13598276 0.88 SPHK2 (0.53) SPHK2SPHK1HDAC6HDAC4
SCHEMBL4415893 0.86 SPHK1 (0.41) SPHK2SPHK1HDAC6S1PR1MCHR1
SCHEMBL4415741 0.85 HDAC4 (0.43) SPHK2SPHK1HDAC6HDAC4S1PR1
SCHEMBL13598273 0.83 GPR119 (0.51) SPHK2SPHK1HDAC6HDAC4
SCHEMBL4412893 0.83 SPHK1 (0.47) SPHK2SPHK1HDAC6HDAC4MCHR1
SCHEMBL4422335 0.81 PTGS2 (0.51) SPHK2SPHK1HDAC4MCHR1
SCHEMBL4422145 0.81 GPR119 (0.52) SPHK2SPHK1HDAC6HDAC4

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 SPHK2 754/4885SPHK1 686/4885HDAC6 2609/4885

“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.