SCHEMBL6703699

SCHEMBL6703699

O=C1NC(=O)C(C(O)c2ccc(I)cc2)N1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.31
ACACB O00763 1/20 0.30

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
SCHEMBL10620249 0.83 ALDH1A1 (0.41)
SCHEMBL6791191 0.81 MMP2 (0.35) TDP1TSHR
SCHEMBL6786610 0.81 HSD17B2 (0.40)
SCHEMBL6798968 0.81 HSD17B2 (0.40)
SCHEMBL6798684 0.81 HSD17B2 (0.40)
SCHEMBL6702161 0.80 CES2 (0.41) TSHR
SCHEMBL6800602 0.80 TDP1 (0.45) BACE1TDP1TSHR
SCHEMBL6792155 0.77 SRD5A2 (0.43) ACACB
SCHEMBL6793693 0.76 LMNA (0.42)
SCHEMBL6703573 0.76 TOP2A (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 US disclosed
US-20040116486-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-06-17 US disclosed
US-20040110809-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-06-10 US disclosed
EP-1370536-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
EP-1370535-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
EP-1370538-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
WO-2002074749-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
WO-2002074752-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO 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 (2 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-20040110809-A1 Metalloproteinase inhibitors MMP9, MMP2, MMP3 BACE1 222/4885TDP1 1558/4885TSHR 3771/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 BACE1 28/4885TDP1 3812/4885TSHR 2971/4885

“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.