SCHEMBL2905549

SCHEMBL2905549

O=C(NO)c1ccc(NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)c2cncc(Br)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.60
CASP3 P42574 6/20 0.51
USP30 Q70CQ3 1/20 0.51
HDAC8 Q9BY41 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CTSB P07858 2/20 0.48
CTSS P25774 2/20 0.48
CTSK P43235 2/20 0.48
CCR1 P32246 1/20 0.47
KDM4E B2RXH2 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
SCHEMBL2905546 1.00 CTSL (0.60) CTSLCASP3USP30HDAC8HDAC3
SCHEMBL2905746 0.89 CTSL (0.53) CTSLCASP3HDAC8HDAC3HDAC4
SCHEMBL2903098 0.89 CTSL (0.53) CTSLCASP3HDAC8HDAC3HDAC4
SCHEMBL2903093 0.89 CTSL (0.53) CTSLCASP3HDAC8HDAC3HDAC4
SCHEMBL2905965 0.88 CTSL (0.52) CTSLCASP3USP30HDAC8HDAC3
SCHEMBL2905961 0.88 CTSL (0.52) CTSLCASP3USP30HDAC8HDAC3
SCHEMBL2899984 0.87 HDAC8 (0.61) CTSLUSP30HDAC8HDAC3HDAC4
SCHEMBL2899982 0.87 HDAC8 (0.61) CTSLUSP30HDAC8HDAC3HDAC4
SCHEMBL2905625 0.81 HDAC8 (0.62) CTSLUSP30HDAC8HDAC3HDAC4
SCHEMBL2905629 0.81 HDAC8 (0.62) CTSLUSP30HDAC8HDAC3HDAC4

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 321/4885CASP3 459/4885USP30 2451/4885

“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.