SCHEMBL7056766

SCHEMBL7056766

O=C(CCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccccc3)s2)[C@@H](C(=O)NOC2CCCCO2)C1)OCc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
MMP13 P45452 3/20 0.33
MMP9 P14780 2/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
MGLL Q99685 1/20 0.33
MMP2 P08253 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
FKBP1A P62942 1/20 0.32

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
SCHEMBL7054421 0.92 ALDH1A1 (0.36) ALDH1A1MMP13MMP1MMP3HCRTR1
SCHEMBL7059005 0.92 ALDH1A1 (0.36) ALDH1A1MMP13MMP3HCRTR1HCRTR2
SCHEMBL7056931 0.90 MMP9 (0.35) ALDH1A1MMP13MMP9MMP1MMP3
SCHEMBL7056557 0.89 ALDH1A1 (0.34) ALDH1A1MMP13MMP3
SCHEMBL7057619 0.89 ALDH1A1 (0.36) ALDH1A1MMP13MMP1HCRTR1HCRTR2
SCHEMBL7053151 0.88 SMN1; SMN2 (0.34) ALDH1A1MMP13MMP1HCRTR1HCRTR2
SCHEMBL7059261 0.87 IKBKB (0.37) ALDH1A1MMP13HCRTR1HCRTR2
SCHEMBL7054603 0.87 IKBKB (0.38) ALDH1A1MMP13
SCHEMBL7060241 0.85 MMP8 (0.36) ALDH1A1MMP13MMP1MMP3MMP7
SCHEMBL7058978 0.84 ALDH1A1 (0.40) ALDH1A1MMP13MMP9MMP1MMP3

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 ALDH1A1 281/4885MMP13 14/4885MMP9 5/4885

“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.