SCHEMBL4777022

SCHEMBL4777022

N[C@H](Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)C(=O)N1Cc2ccccc2C1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 9/20 0.75
DPP4 P27487 3/20 0.63
DPP8 Q6V1X1 5/20 0.50
DPP7 Q9UHL4 4/20 0.50
DPP9 Q86TI2 3/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NAMPT P43490 1/20 0.49
AKT1 P31749 1/20 0.47
AKT2 P31751 1/20 0.47
AKT3 Q9Y243 1/20 0.47

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
SCHEMBL4909661 1.00 HDAC8 (0.75) HDAC8DPP4DPP8DPP7DPP9
SCHEMBL4774993 0.92 HDAC8 (0.83) HDAC8DPP4DPP8DPP7DPP9
SCHEMBL4774983 0.92 HDAC8 (0.83) HDAC8DPP4DPP8DPP7DPP9
SCHEMBL4770560 0.89 DPP4 (0.69) HDAC8DPP4DPP8HDAC3HDAC1
SCHEMBL4909987 0.89 DPP4 (0.69) HDAC8DPP4DPP8HDAC3HDAC1
SCHEMBL8242087 0.86 HDAC8 (1.00) HDAC8DPP4DPP8DPP7DPP9
SCHEMBL14025186 0.86 HDAC8 (1.00) HDAC8DPP4DPP8DPP7DPP9
SCHEMBL4773522 0.86 HDAC8 (0.58) HDAC8DPP4DPP8DPP7DPP9
Hydrochloric Acid SCHEMBL6165480 0.85 HDAC8 (1.00) HDAC8DPP4DPP8DPP7DPP9
SCHEMBL4776727 0.82 HDAC8 (1.00) HDAC8DPP4DPP8DPP7DPP9

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
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US claimed
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 EP disclosed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US disclosed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 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-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof HNMT, HDAC5, HDAC4 HDAC8 16/4885DPP4 616/4885DPP8 1164/4885

“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.