SCHEMBL7056601

SCHEMBL7056601

O=C(O)[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CCN1S(=O)(=O)c1ccc(-c2ccc(F)cc2)s1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 9/20 0.37
MMP8 P22894 1/20 0.37
MMP12 P39900 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MMP1 P03956 4/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34
CHRM3 P20309 1/20 0.34
FABP5 Q01469 2/20 0.33
FABP7 O15540 1/20 0.33
FKBP1A P62942 1/20 0.33
F10 P00742 1/20 0.33

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
SCHEMBL7054837 0.94 MMP13 (0.38) MMP13MMP8MMP12POLBALDH1A1
SCHEMBL7058451 0.92 MMP13 (0.39) MMP13MMP8MMP12POLBALDH1A1
SCHEMBL7059791 0.91 MMP13 (0.41) MMP13MMP8MMP12POLBALDH1A1
SCHEMBL7057498 0.89 MMP13 (0.48) MMP13MMP1MMP3MMP7MMP9
SCHEMBL7052704 0.83 SMN1; SMN2 (0.33) MMP13ALDH1A1MMP1MMP3MMP7
SCHEMBL2888515 0.81 PKM (0.47) POLBALDH1A1
SCHEMBL13050546 0.81 PKM (0.47) POLBALDH1A1
SCHEMBL7053097 0.78 MMP13 (0.34) MMP13ALDH1A1MMP1MMP3MMP7
SCHEMBL7057593 0.77 MMP13 (0.49) MMP13MMP8POLBALDH1A1MMP1
SCHEMBL7059237 0.76 MMP1 (0.36) MMP13MMP1MMP3MMP7MMP9

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 MMP13 14/4885MMP8 19/4885MMP12 12/4885

“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.