SCHEMBL7679893

SCHEMBL7679893

COC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(=O)[C@H](C)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.43
TACR1 P25103 1/20 0.43
ALDH1A1 P00352 2/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FPR2 P25090 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LCK P06239 1/20 0.39
MAPT P10636 2/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL7678790 1.00 NOS2 (0.43) NOS2TACR1ALDH1A1THRBCYP2C9
SCHEMBL8422925 0.94 FOLH1 (0.45) NOS2TACR1ALDH1A1THRBCYP2C9
SCHEMBL7671947 0.91 FOLH1 (0.47) NOS2TACR1ALDH1A1THRBCYP2C9
SCHEMBL7675514 0.91 FOLH1 (0.47) NOS2TACR1ALDH1A1THRBCYP2C9
SCHEMBL7680320 0.87 TSHR (0.53) NOS2TACR1ALDH1A1THRBCYP2C9
SCHEMBL7680296 0.87 TSHR (0.53) NOS2TACR1ALDH1A1THRBCYP2C9
SCHEMBL7680304 0.87 TSHR (0.53) NOS2TACR1ALDH1A1THRBCYP2C9
SCHEMBL7674471 0.86 NOS2 (0.58) NOS2ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL4415553 0.86 NOS2 (0.58) NOS2ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL4415551 0.86 NOS2 (0.58) NOS2ALDH1A1THRBCYP2C9CYP2C19

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 982/4885TACR1 603/4885ALDH1A1 3198/4885

“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.