SCHEMBL13456455

SCHEMBL13456455

CC(C)(C)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MMP2 P08253 1/20 0.45
▸ F10 P00742 10/20 0.45
▸ F2 P00734 7/20 0.45
▸ ADAMTS5 Q9UNA0 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ PRSS1 P07477 1/20 0.40
▸ PRSS2 P07478 1/20 0.40
▸ PRSS3 P35030 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ ITGB7 P26010 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL12825224 0.78 F10 (0.49) CYP2C9CYP2C19MMP2F10F2
SCHEMBL13456457 0.78 GAA (0.45) CYP2C9CYP2C19MMP2ADAMTS5GAA
SCHEMBL8289817 0.78 F10 (0.52) MMP2F10F2PRSS1PRSS2
SCHEMBL8353843 0.77 F2 (0.43) F10F2PRSS1
SCHEMBL8358012 0.77 F2 (0.52) F10F2PRSS1
SCHEMBL16919021 0.75 TLR2 (0.39) —
SCHEMBL17366090 0.74 SLC1A3 (0.50) MMP2MAPTKMT2AMEN1
SCHEMBL8358318 0.72 F2 (0.51) F10F2
SCHEMBL14472554 0.72 MAPT (0.44) CYP2C9CYP2C19F10F2GAA
SCHEMBL13456454 0.72 F10 (0.54) F10F2KMT2APRSS1PRSS2

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-20100068272-A1 HYDROXYAMIDINE AND HYDROXYGUANIDINE COMPOUNDS AS UROKINASE INHIBITORS WILEX AG (DE) 2010-03-18 — — 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-20100068272-A1 HYDROXYAMIDINE AND HYDROXYGUANIDINE COMPOUNDS AS UROKINASE INHIBITORS PLAU, PLAUR, HPN CYP2C9 1257/4885CYP2C19 1728/4885MMP2 16/4885

“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.

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