SCHEMBL7053839

SCHEMBL7053839

CC(C)(C)ONC(=O)[C@H]1CN(S(=O)(=O)CCNS(C)(=O)=O)CCN1S(=O)(=O)c1ccc(-c2ccccc2)s1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.38
MMP13 P45452 3/20 0.38
MMP1 P03956 2/20 0.38
USP2 O75604 1/20 0.37

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
SCHEMBL7149164 0.92 MMP13 (0.35) GAAALDH1A1MMP13MMP1
SCHEMBL7056096 0.92 MMP13 (0.35) GAAALDH1A1MMP13MMP1
SCHEMBL7149159 0.92 MMP13 (0.35) GAAALDH1A1MMP13MMP1
SCHEMBL7057739 0.91 MMP13 (0.45) MMP13MMP1
SCHEMBL7056747 0.91 MMP13 (0.39) GAAMMP13MMP1
SCHEMBL7054506 0.88 GAA (0.43) GAAALDH1A1HTTMMP13MMP1
SCHEMBL7051962 0.85 RAB9A (0.41) GAAALDH1A1
SCHEMBL7059119 0.85 MMP13 (0.35) GAAMMP13MMP1
SCHEMBL7053190 0.84 MEN1 (0.37) GAAALDH1A1HTT
SCHEMBL7051941 0.84 RAB9A (0.35) GAAALDH1A1MMP13MMP1

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 GAA 766/4885ALDH1A1 281/4885HTT 672/4885

“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.