SCHEMBL2903610

SCHEMBL2903610

CC(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(C(=O)NO)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
PSMB8 P28062 2/20 0.56
PSMB11 A5LHX3 1/20 0.56
PSMD11 O00231 1/20 0.56
PSMD12 O00232 1/20 0.56
PSMD14 O00487 1/20 0.56
PSMA7 O14818 1/20 0.56
PSMD3 O43242 1/20 0.56
PSMC3 P17980 1/20 0.56
PSMB1 P20618 1/20 0.56
PSMA1 P25786 1/20 0.56
PSMA2 P25787 1/20 0.56
PSMA3 P25788 1/20 0.56
PSMA4 P25789 1/20 0.56
PSMB9 P28065 1/20 0.56
PSMA5 P28066 1/20 0.56

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
SCHEMBL2903617 1.00 CYP1A2 (0.61) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2905629 0.90 HDAC8 (0.62) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2905625 0.90 HDAC8 (0.62) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2905952 0.89 ITGB1 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2905957 0.89 ITGB1 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL23486659 0.88 CYP2D6 (0.62) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21422356 0.86 HDAC8 (0.62) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2906870 0.86 TACR1 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2900002 0.86 TACR1 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2900007 0.86 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 CYP1A2 4090/4885CYP3A4 4661/4885CYP2D6 4293/4885

“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.