SCHEMBL2903642

SCHEMBL2903642

Nc1ccc(C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)Nc2ccc(C(=O)NO)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.54
CTSS P25774 2/20 0.54
CTSB P07858 1/20 0.54
CTSK P43235 1/20 0.54
CA2 P00918 1/20 0.53
HDAC1 Q13547 6/20 0.50
HDAC8 Q9BY41 5/20 0.50
HDAC3 O15379 4/20 0.50
HDAC4 P56524 4/20 0.50
HDAC7 Q8WUI4 4/20 0.50
HDAC2 Q92769 4/20 0.50
HDAC10 Q969S8 4/20 0.50
HDAC11 Q96DB2 4/20 0.50
HDAC6 Q9UBN7 4/20 0.50
HDAC9 Q9UKV0 4/20 0.50
HDAC5 Q9UQL6 4/20 0.50
FCER2 P06734 2/20 0.48
TACR1 P25103 3/20 0.47
MMP9 P14780 2/20 0.46
MMP8 P22894 2/20 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
SCHEMBL2903010 1.00 CTSL (0.54) CTSLCTSSCTSBCTSKCA2
SCHEMBL2903014 1.00 CTSL (0.54) CTSLCTSSCTSBCTSKCA2
SCHEMBL1554664 0.93 CTSL (0.60) CTSLCTSSCTSBCTSKCA2
SCHEMBL1554667 0.93 CTSL (0.60) CTSLCTSSCTSBCTSKCA2
SCHEMBL2905617 0.93 CTSL (0.60) CTSLCTSSCTSBCTSKCA2
SCHEMBL2900002 0.87 TACR1 (0.53) CTSLCTSSCTSBCTSKCA2
SCHEMBL2906870 0.87 TACR1 (0.53) CTSLCTSSCTSBCTSKCA2
SCHEMBL2900007 0.87 TACR1 (0.53) CTSLCTSSCTSBCTSKCA2
SCHEMBL2905746 0.84 CTSL (0.53) CTSLCTSSCTSBCTSKCA2
SCHEMBL2903098 0.84 CTSL (0.53) CTSLCTSSCTSBCTSKCA2

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 CTSL 321/4885CTSS 1616/4885CTSB 678/4885

“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.