SCHEMBL2905957

SCHEMBL2905957

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 3/20 0.49
ITGA4 P13612 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HDAC1 Q13547 6/20 0.49
HDAC8 Q9BY41 6/20 0.48
HDAC3 O15379 5/20 0.48
HDAC4 P56524 5/20 0.48
HDAC7 Q8WUI4 5/20 0.48
HDAC2 Q92769 5/20 0.48
HDAC10 Q969S8 5/20 0.48
HDAC11 Q96DB2 5/20 0.48
HDAC6 Q9UBN7 5/20 0.48
HDAC9 Q9UKV0 5/20 0.48
HDAC5 Q9UQL6 5/20 0.48
USP30 Q70CQ3 1/20 0.47
GRIA1 P42261 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
SCHEMBL2905952 1.00 ITGB1 (0.49) ITGB1ITGA4CYP1A2CYP3A4CYP2D6
SCHEMBL2903617 0.89 CYP1A2 (0.61) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2903610 0.89 CYP1A2 (0.61) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1477301 0.88 ITGB1 (0.53) ITGB1ITGA4CYP1A2CYP3A4CYP2D6
SCHEMBL2905526 0.87 USP30 (0.50) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2905530 0.87 USP30 (0.50) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2903012 0.87 CTSL (0.61) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2903018 0.87 CTSL (0.61) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2900002 0.83 TACR1 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2900007 0.83 TACR1 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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 ITGB1 2574/4885ITGA4 3993/4885CYP1A2 4090/4885

“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.