SCHEMBL4415741

SCHEMBL4415741

C[C@H](CO)NC(=O)c1ccc(-c2nc(COC3CCN(C(=O)O)CC3)no2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 10/20 0.43
HDAC6 Q9UBN7 3/20 0.43
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
SPHK1 Q9NYA1 3/20 0.40
SPHK2 Q9NRA0 3/20 0.40
HDAC3 O15379 1/20 0.38
KCNH2 Q12809 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
S1PR1 P21453 1/20 0.38
SMPD1 P17405 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
SCHEMBL4426097 0.89 GPR119 (0.51) HDAC4HDAC6
SCHEMBL13598303 0.89 GPR119 (0.51) HDAC4HDAC6
SCHEMBL4415893 0.86 SPHK1 (0.41) HDAC6ITGB3ITGA2BSPHK1SPHK2
SCHEMBL4424803 0.85 SPHK1 (0.46) HDAC4HDAC6SPHK1SPHK2S1PR1
SCHEMBL4415854 0.85 SPHK2 (0.55) HDAC4HDAC6SPHK1SPHK2S1PR1
SCHEMBL4424695 0.83 SPHK2 (0.49) HDAC6SPHK1SPHK2S1PR1
SCHEMBL4414279 0.82 HDAC4 (0.46) HDAC4HDAC6SPHK1SPHK2S1PR1
SCHEMBL4412893 0.81 SPHK1 (0.47) HDAC4HDAC6SPHK1SPHK2KCNH2
SCHEMBL4416575 0.80 GPR119 (0.49) HDAC4HDAC6SPHK1SPHK2
SCHEMBL4422335 0.79 PTGS2 (0.51) HDAC4SPHK1SPHK2KCNH2

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 HDAC4 2550/4885HDAC6 2609/4885ITGB3 3010/4885

“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.