SCHEMBL7058053

SCHEMBL7058053

CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)NOC2CCCCO2)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 5/20 0.49
MMP13 P45452 5/20 0.49
MMP1 P03956 4/20 0.49
MMP3 P08254 3/20 0.49
MMP7 P09237 3/20 0.49
ADAM17 P78536 2/20 0.44
MMP2 P08253 1/20 0.42
ALDH1A1 P00352 4/20 0.42
EPHX2 P34913 1/20 0.42
FKBP1A P62942 1/20 0.40
KMT2A Q03164 1/20 0.40
FAAH O00519 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL7056491 0.89 MMP13 (0.54) MMP9MMP13MMP1MMP3MMP7
SCHEMBL7056784 0.88 MMP13 (0.38) MMP9MMP13MMP1MMP3MMP7
SCHEMBL7058969 0.83 MMP13 (0.46) MMP9MMP13MMP1MMP3MMP7
SCHEMBL7058098 0.80 ALDH1A1 (0.48) MMP9MMP13MMP1MMP3MMP7
SCHEMBL7054703 0.80 HCRTR1 (0.45) MMP9MMP13MMP1MMP3MMP7
SCHEMBL7054239 0.80 MMP9 (0.71) MMP9MMP13MMP1MMP3MMP7
SCHEMBL7053634 0.79 MMP1 (0.55) MMP9MMP13MMP1MMP3MMP7
SCHEMBL7060259 0.77 MMP1 (0.46) MMP9MMP13MMP1MMP3MMP7
SCHEMBL7058978 0.77 ALDH1A1 (0.40) MMP9MMP13MMP1MMP3MMP7
SCHEMBL7370176 0.77 MMP13 (0.40) MMP9MMP13MMP1MMP3MMP7

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 6 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-20020128270-A1 Piperazine compounds as inhibitors of MMP or TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-12 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 (2 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-20020128270-A1 Piperazine compounds as inhibitors of MMP or TNF MMP1, MMP2, TNF MMP9 4/4885MMP13 14/4885MMP1 1/4885
US-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF MMP2, MMP1, TNF MMP9 5/4885MMP13 14/4885MMP1 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.