SCHEMBL7122534

SCHEMBL7122534

CCNC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(OC(C)=O)cc3)s2)[C@@H](C(=O)NOC2CCCCO2)C1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 18/20 0.35
MMP1 P03956 10/20 0.35
MMP3 P08254 3/20 0.35
MMP7 P09237 3/20 0.35
MMP9 P14780 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7122535 1.00 MMP13 (0.35) MMP13MMP1MMP3MMP7MMP9
SCHEMBL7056174 0.91 SMN1; SMN2 (0.38) MMP13MMP1MMP3MMP7MMP9
SCHEMBL7058112 0.91 ALDH1A1 (0.39) MMP13MMP1MMP3MMP7MMP9
SCHEMBL7351275 0.89 KCNQ1 (0.34) MMP13MMP1MMP3MMP7MMP9
SCHEMBL7115264 0.87 MMP13 (0.40) MMP13MMP1MMP3MMP7MMP9
SCHEMBL7115259 0.87 MMP13 (0.40) MMP13MMP1MMP3MMP7MMP9
SCHEMBL7053127 0.85 MMP13 (0.33) MMP13MMP1MMP3MMP7MMP9
SCHEMBL7055747 0.85 MMP13 (0.37) MMP13MMP1MMP3MMP7MMP9
SCHEMBL7060255 0.84 ALDH1A1 (0.38) MMP13MMP1
SCHEMBL7058252 0.83 SMN1; SMN2 (0.37) 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 14/4885MMP1 2/4885MMP3 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.