SCHEMBL6472806

SCHEMBL6472806

N=C(N)NCCC[C@@H](NO)C(=O)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARS1 P26639 1/20 0.50
BCL2L1 Q07817 3/20 0.47
MCL1 Q07820 3/20 0.47
MMP2 P08253 9/20 0.45
CA12 O43570 5/20 0.45
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CA9 Q16790 5/20 0.45
MMP13 P45452 5/20 0.44
MMP14 P50281 3/20 0.44
ADAMTS4 O75173 2/20 0.44
ADAMTS5 Q9UNA0 2/20 0.44
BMP1 P13497 5/20 0.43
MMP1 P03956 2/20 0.43
MEP1B Q16820 1/20 0.43
MMP9 P14780 2/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
ADAM10 O14672 1/20 0.42
MMP12 P39900 1/20 0.42

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
SCHEMBL4372267 0.91 BCL2L1 (0.43) TARS1BCL2L1MCL1MMP2CA12
SCHEMBL4372036 0.87 SCN9A (0.41) TARS1BCL2L1MCL1MMP2CA12
SCHEMBL1799177 0.86 BMP1 (0.58) MMP2MMP13MMP14ADAMTS4ADAMTS5
SCHEMBL1801064 0.84 MMP2 (0.49) MMP2CA12CA1CA2CA9
SCHEMBL8358421 0.82 BMP1 (0.54) MMP2CA12CA1CA2CA9
SCHEMBL8358332 0.82 MMP2 (0.47) MMP2CA12CA1CA2CA9
SCHEMBL4377322 0.77 ADAM17 (0.56) MMP2MMP13MMP14ADAMTS4ADAMTS5
SCHEMBL12619403 0.76 BMP1 (0.61) MMP2MMP13MMP14BMP1MMP1
SCHEMBL4374935 0.74 BCL2L1 (0.47) TARS1BCL2L1MCL1MMP2CA1
SCHEMBL1799173 0.74 MMP2 (0.41) MMP2CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050227973-A1 Human adam-10 inhibitors EXELIXIS, INC. 2005-10-13 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-20050227973-A1 Human adam-10 inhibitors ADAM10, ADAM12, ADAM9 TARS1 2165/4885BCL2L1 512/4885MCL1 418/4885

“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.