SCHEMBL7056970

SCHEMBL7056970

O=C(NCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccccc3)s2)[C@@H](C(=O)NO)C1)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 9/20 0.44
MMP3 P08254 8/20 0.44
MMP1 P03956 7/20 0.44
MMP7 P09237 7/20 0.44
MMP13 P45452 4/20 0.44
MMP2 P08253 3/20 0.44
MMP8 P22894 3/20 0.41
GAA P10253 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
SCHEMBL7056931 0.85 MMP9 (0.35) MMP9MMP3MMP1MMP7MMP13
SCHEMBL7054506 0.84 GAA (0.43) MMP9MMP3MMP1MMP7MMP13
SCHEMBL7060161 0.83 MMP8 (0.41) MMP3MMP8GAA
SCHEMBL7055845 0.83 MMP1 (0.43) MMP9MMP3MMP1MMP7MMP13
SCHEMBL7053216 0.81 RAB9A (0.42) MMP3MMP8
SCHEMBL7059663 0.81 MMP8 (0.42) MMP9MMP3MMP1MMP7MMP13
SCHEMBL7057731 0.80 MMP9 (0.55) MMP9MMP3MMP1MMP7MMP13
Hydrochloric Acid SCHEMBL7059703 0.80 MMP8 (0.51) MMP3MMP1MMP7MMP13MMP8
SCHEMBL7057216 0.79 MMP8 (0.42) MMP9MMP3MMP1MMP7MMP13
SCHEMBL7052103 0.79 MMP1 (0.41) MMP9MMP3MMP1MMP7MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-27 US disclosed
US-6489324-B2 TREATING STROKE, ARHTRITIS, CANCER, TISSUE ULCERATION, DECUBITIS ULCER, RESTENOSIS, PERIODONTAL DISEASE, EPIDERMOLYSIS BULLOSA, SCLERITIS, PSORIASIS, AIDS, SEPSIS, AND SEPTIC SHOCK. FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-03 US disclosed
US-6333324-B1 FOR THERAPY AND PROPHYLAXIS OF MATRIX METALLOPROTEINASES (MMP) OR TUMOR NECROSIS FACTOR .ALPHA. (TNF.ALPHA.), MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-25 US disclosed
EP-0948489-A1 PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-13 EP disclosed
WO-1998027069-A1 PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-25 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 (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-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF MMP2, MMP1, TNF MMP9 5/4885MMP3 7/4885MMP1 2/4885

“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.