SCHEMBL7674471

SCHEMBL7674471

COC(=O)C(Cc1ccccc1)NC(=O)C(C)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.58
ALDH1A1 P00352 1/20 0.57
THRB P10828 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HSD17B10 Q99714 1/20 0.57
FPR2 P25090 1/20 0.55
ATM Q13315 1/20 0.52
POLB P06746 1/20 0.50
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
TSHR P16473 1/20 0.48

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
SCHEMBL4415553 1.00 NOS2 (0.58) NOS2ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL4415551 1.00 NOS2 (0.58) NOS2ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL8418928 0.91 NOS2 (0.50) NOS2ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL8418925 0.91 NOS2 (0.50) NOS2ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL7680304 0.90 TSHR (0.53) NOS2ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL7680296 0.90 TSHR (0.53) NOS2ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL7680320 0.90 TSHR (0.53) NOS2ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL1823124 0.90 FPR2 (0.68) FPR2CA1CA2
SCHEMBL1823125 0.90 FPR2 (0.68) FPR2CA1CA2
SCHEMBL1824158 0.90 FPR2 (0.68) FPR2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495693-B2 TREATMENT OF ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 2002-12-17 US claimed
US-20010020097-A1 N-(ARYL/HETEROARYL) AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS AUDIA JAMES E (US) 2001-09-06 US claimed
EP-0942923-A2 N-(ARYL/HETEROARYL) AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS Elan Pharmaceuticals, Inc. (US) 1999-09-22 EP claimed
WO-1998022493-A2 N-(ARYL/HETEROARYL) AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO claimed
US-6495693-B2 TREATMENT OF ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 2002-12-17 US disclosed
US-20010020097-A1 N-(ARYL/HETEROARYL) AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS AUDIA JAMES E (US) 2001-09-06 US disclosed
US-6096782-A N-(aryl/heteroaryl) amino acid derivatives pharmaceutical compositions comprising same and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds ATHENA NEUROSCIENCES, INC. (US) 2000-08-01 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-20010020097-A1 N-(ARYL/HETEROARYL) AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS APP, BACE1, IAPP NOS2 982/4885ALDH1A1 3198/4885THRB 1684/4885

“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.