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Sugi Predict / Compounds / SCHEMBL7056931

SCHEMBL7056931

SCHEMBL7056931

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 3/20 0.35
▸ MMP2 P08253 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ TGM2 P21980 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ MMP7 P09237 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ ITGB3 P05106 1/20 0.32
▸ ITGA2B P08514 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
SCHEMBL7056766 0.90 ALDH1A1 (0.34) MMP9MMP2ALDH1A1MMP1MMP3
SCHEMBL7054421 0.86 ALDH1A1 (0.36) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL7057619 0.86 ALDH1A1 (0.36) ALDH1A1GAAMEN1KMT2AMMP1
SCHEMBL7059005 0.86 ALDH1A1 (0.36) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL7056970 0.85 MMP9 (0.44) MMP9MMP2GAAMMP1MMP3
SCHEMBL7060241 0.85 MMP8 (0.36) ALDH1A1MEN1KMT2AMMP1MMP3
SCHEMBL7058978 0.85 ALDH1A1 (0.40) MMP9ALDH1A1GAAKMT2AMMP1
SCHEMBL7059261 0.84 IKBKB (0.37) ALDH1A1MMP13
SCHEMBL7054603 0.83 IKBKB (0.38) ALDH1A1MEN1KMT2AMAPTCYP2C9
SCHEMBL7056557 0.83 ALDH1A1 (0.34) ALDH1A1GAAMEN1KMT2AMMP3

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 5/4885MMP2 1/4885ALDH1A1 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.