SCHEMBL2909283

SCHEMBL2909283

N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(C(=O)NO)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.53
HDAC3 O15379 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
PTGS1 P23219 2/20 0.50
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
HIF1A Q16665 2/20 0.47
EPAS1 Q99814 2/20 0.47
HDAC1 Q13547 3/20 0.47
TRPV1 Q8NER1 2/20 0.47
HDAC2 Q92769 1/20 0.46
RORC P51449 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL21529038 0.87 KIF11 (0.57) TP53POLBMAPT
SCHEMBL21529039 0.87 KIF11 (0.57) TP53POLBMAPT
SCHEMBL2903186 0.86 BACE1 (0.58) HDAC8HDAC3HDAC6MAPTHDAC1
SCHEMBL4939667 0.85 EPHX2 (0.58) TP53POLBMAPTRAB9A
SCHEMBL4939649 0.85 EPHX2 (0.58) TP53POLBMAPTRAB9A
SCHEMBL21880198 0.84 MAPT (0.65) HDAC8TP53POLBMAPTHIF1A
SCHEMBL21880197 0.84 MAPT (0.65) HDAC8TP53POLBMAPTHIF1A
SCHEMBL2900072 0.84 BACE1 (0.59) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL2905526 0.83 USP30 (0.50) HDAC8HDAC3HDAC6TP53POLB
SCHEMBL2905530 0.83 USP30 (0.50) HDAC8HDAC3HDAC6TP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763507-B1 ALPHA-AMINO ACID DERIVATES WITH ANTIINFLAMMATORY ACTIVITY ITALFARMACO SPA (IT) 2010-08-11 EP claimed
US-7635788-B2 Alpha-amino acid derivatives with antiinflammatory activity ITALFARMACO SPA (IT) 2009-12-22 US claimed
US-20080076807-A1 Alpha-Amino Acid Derivatives with Antiinflammatory Activity ITALFARMACO SPA (IT) 2008-03-27 US claimed
EP-1763507-B1 ALPHA-AMINO ACID DERIVATES WITH ANTIINFLAMMATORY ACTIVITY ITALFARMACO SPA (IT) 2010-08-11 EP disclosed
US-7635788-B2 Alpha-amino acid derivatives with antiinflammatory activity ITALFARMACO SPA (IT) 2009-12-22 US disclosed
US-20080076807-A1 Alpha-Amino Acid Derivatives with Antiinflammatory Activity ITALFARMACO SPA (IT) 2008-03-27 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-20080076807-A1 Alpha-Amino Acid Derivatives with Antiinflammatory Activity TNF, NFKBIA, IFNG HDAC8 4356/4885HDAC3 4638/4885HDAC6 3326/4885

“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.