SCHEMBL7052830

SCHEMBL7052830

CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(F)cc3)s2)[C@@H](C(=O)NO)C1.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 7/20 0.52
MMP13 P45452 6/20 0.52
MMP1 P03956 6/20 0.52
MMP9 P14780 5/20 0.52
MMP7 P09237 3/20 0.52
ADAM17 P78536 2/20 0.47
MMP8 P22894 5/20 0.41
GLA P06280 1/20 0.40
MMP2 P08253 2/20 0.39
MMP14 P50281 1/20 0.39

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
SCHEMBL7056106 0.99 MMP3 (0.53) MMP3MMP13MMP1MMP9MMP7
SCHEMBL7052918 0.90 MMP13 (0.54) MMP3MMP13MMP1MMP9MMP7
SCHEMBL7052134 0.90 MMP13 (0.54) MMP3MMP13MMP1MMP9MMP7
SCHEMBL7058127 0.90 MMP13 (0.50) MMP3MMP13MMP1MMP9MMP7
SCHEMBL7052833 0.90 MMP13 (0.45) MMP3MMP13MMP1MMP9MMP7
SCHEMBL7059363 0.89 MMP9 (0.53) MMP3MMP13MMP1MMP9MMP7
SCHEMBL7058579 0.89 MMP3 (0.53) MMP3MMP13MMP1MMP9MMP7
SCHEMBL7057731 0.89 MMP9 (0.55) MMP3MMP13MMP1MMP9MMP7
SCHEMBL7053684 0.89 MMP3 (0.43) MMP3MMP13MMP1MMP9MMP7
SCHEMBL7059693 0.89 MMP13 (0.51) MMP3MMP13MMP1MMP9MMP7

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 MMP3 7/4885MMP13 14/4885MMP1 1/4885
US-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF MMP2, MMP1, TNF MMP3 7/4885MMP13 14/4885MMP1 2/4885

“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.