SCHEMBL7056976

SCHEMBL7056976

COc1ccc(S(=O)(=O)N2C[C@@H](CC(C)C)N(C(=O)OC(C)(C)C)C[C@@H]2C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 11/20 0.51
MMP9 P14780 10/20 0.51
MMP3 P08254 10/20 0.51
MMP7 P09237 9/20 0.51
MMP13 P45452 5/20 0.49
MMP2 P08253 12/20 0.47
MMP8 P22894 4/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
HSD11B1 P28845 1/20 0.43

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
SCHEMBL7348506 1.00 MMP1 (0.51) MMP1MMP9MMP3MMP7MMP13
SCHEMBL7059059 0.89 MMP1 (0.50) MMP1MMP9MMP3MMP7MMP13
SCHEMBL7059685 0.87 MMP1 (0.49) MMP1MMP9MMP3MMP7MMP13
SCHEMBL7056205 0.83 MMP1 (0.48) MMP1MMP9MMP3MMP7MMP13
SCHEMBL7128097 0.77 HSD11B1 (0.52) MMP1MMP9MMP3MMP7MMP13
SCHEMBL7128095 0.77 HSD11B1 (0.52) MMP1MMP9MMP3MMP7MMP13
SCHEMBL7056093 0.72 MMP1 (0.62) MMP1MMP9MMP3MMP7MMP13
SCHEMBL7059230 0.70 MMP1 (0.51) MMP1MMP9MMP3MMP7MMP13
SCHEMBL8210485 0.69 CA12 (0.61) MMP1MMP9MMP3MMP7MMP13
SCHEMBL8210480 0.69 CA12 (0.61) MMP1MMP9MMP3MMP7MMP13

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 4 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

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 MMP1 1/4885MMP9 4/4885MMP3 7/4885
US-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF MMP2, MMP1, TNF MMP1 2/4885MMP9 5/4885MMP3 7/4885

“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.