SCHEMBL7054410

SCHEMBL7054410

COc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)[C@H](C)[C@@H]2C(=O)NOCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 18/20 0.57
MMP13 P45452 9/20 0.57
ADAM17 P78536 5/20 0.57
MMP9 P14780 12/20 0.54
MMP3 P08254 12/20 0.54
MMP7 P09237 8/20 0.54
MMP2 P08253 6/20 0.52
MMP8 P22894 4/20 0.52
MMP12 P39900 1/20 0.49
MMP14 P50281 1/20 0.49
MMP15 P51511 1/20 0.49
MMP16 P51512 1/20 0.49
MMP26 Q9NRE1 1/20 0.49

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
SCHEMBL7058353 0.82 MMP1 (0.69) MMP1MMP13ADAM17MMP9MMP3
SCHEMBL6236717 0.82 MMP1 (0.70) MMP1MMP13ADAM17MMP9MMP3
SCHEMBL7057703 0.82 MMP1 (0.68) MMP1MMP13ADAM17MMP9MMP3
SCHEMBL7053311 0.82 MMP1 (0.68) MMP1MMP13ADAM17MMP9MMP3
SCHEMBL7059669 0.80 MMP1 (0.55) MMP1MMP13ADAM17MMP9MMP3
SCHEMBL5346807 0.80 MMP9 (0.68) MMP1MMP13ADAM17MMP9MMP3
SCHEMBL5342854 0.80 MMP9 (0.68) MMP1MMP13ADAM17MMP9MMP3
SCHEMBL7249697 0.79 MMP1 (0.50) MMP1MMP13MMP9MMP3MMP7
SCHEMBL7249691 0.79 MMP1 (0.50) MMP1MMP13MMP9MMP3MMP7
SCHEMBL7054283 0.77 MMP1 (0.52) MMP1MMP13ADAM17MMP9MMP3

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 6 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
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 (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 1/4885MMP13 14/4885ADAM17 26/4885
US-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF MMP2, MMP1, TNF MMP1 2/4885MMP13 14/4885ADAM17 26/4885

“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.