SCHEMBL6726951

SCHEMBL6726951

O=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(CCC(F)(F)F)cn3)cc2)CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 18/20 0.52
MMP13 P45452 17/20 0.52
MMP9 P14780 15/20 0.52
MMP3 P08254 14/20 0.52
MMP8 P22894 14/20 0.52
MMP7 P09237 4/20 0.52
MMP1 P03956 8/20 0.52
MMP14 P50281 8/20 0.52
ADAM17 P78536 1/20 0.50
MMP10 P09238 3/20 0.49
MMP12 P39900 3/20 0.49

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
Hydrochloric Acid SCHEMBL5908723 0.99 MMP2 (0.51) MMP2MMP13MMP9MMP3MMP8
Hydrochloric Acid SCHEMBL5908820 0.94 MMP2 (0.52) MMP2MMP13MMP9MMP3MMP8
Hydrochloric Acid SCHEMBL5908724 0.92 MMP2 (0.50) MMP2MMP13MMP9MMP3MMP8
Hydrochloric Acid SCHEMBL5908636 0.92 MMP2 (0.50) MMP2MMP13MMP9MMP3MMP8
SCHEMBL5908738 0.89 PHGDH (0.42) MMP2MMP13MMP9MMP3MMP8
SCHEMBL8316685 0.87 MMP2 (0.50) MMP2MMP13MMP9MMP3MMP8
Hydrochloric Acid SCHEMBL5908630 0.86 MMP2 (0.49) MMP2MMP13MMP9MMP3MMP8
Hydrochloric Acid SCHEMBL6205781 0.86 MMP2 (0.49) MMP2MMP13MMP9MMP3MMP8
SCHEMBL5908718 0.84 CYP3A4 (0.42) MMP2MMP13MMP9MMP3MMP8
Hydrochloric Acid SCHEMBL5908760 0.84 MMP2 (0.52) MMP2MMP13MMP9MMP3MMP8

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-20040167182-A1 Hydroxamic acid and amide compounds and their use as protease inhibitors PHARMACIA CORPORATION 2004-08-26 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-20040167182-A1 Hydroxamic acid and amide compounds and their use as protease inhibitors MMP1, MMP3, MMP13 MMP2 4/4885MMP13 3/4885MMP9 7/4885

“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.