SCHEMBL7051949

SCHEMBL7051949

O=C(NO)[C@H]1CN(S(=O)(=O)c2ccc(-c3ccon3)s2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)s1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 6/20 0.65
MMP3 P08254 4/20 0.65
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 2/20 0.47
PFKFB3 Q16875 1/20 0.42
MMP1 P03956 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL7054280 0.87 MMP3 (0.64) MMP8MMP3ALDH1A1POLBKMT2A
SCHEMBL7059092 0.84 MMP8 (0.48) MMP8MMP3ALDH1A1POLBKMT2A
SCHEMBL7057731 0.83 MMP9 (0.55) MMP8MMP3ALDH1A1MMP1MMP7
SCHEMBL7059363 0.82 MMP9 (0.53) MMP3MMP1MMP7MMP9MMP13
SCHEMBL7057061 0.81 MMP9 (0.45) MMP8MMP3ALDH1A1MMP1MMP7
SCHEMBL7056117 0.81 MMP3 (0.45) MMP8MMP3ALDH1A1MMP1MMP7
SCHEMBL7054506 0.77 GAA (0.43) MMP8MMP3ALDH1A1MMP1MMP7
SCHEMBL7052923 0.77 ALDH1A1 (0.52) MMP8MMP3ALDH1A1MMP1MMP7
SCHEMBL7059663 0.77 MMP8 (0.42) MMP8MMP3ALDH1A1MMP1MMP7
SCHEMBL7051967 0.77 MMP1 (0.52) MMP3MMP1MMP7MMP9MMP13

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 MMP8 19/4885MMP3 7/4885ALDH1A1 281/4885

“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.