SCHEMBL7052923

SCHEMBL7052923

CCC(C)NS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccccc3)s2)[C@@H](C(=O)NO)C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
USP2 O75604 1/20 0.52
MMP1 P03956 2/20 0.43
MMP13 P45452 2/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.43
MMP8 P22894 2/20 0.42
MMP3 P08254 2/20 0.42
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL7053484 0.89 MMP13 (0.46) ALDH1A1USP2MMP1MMP13MMP8
SCHEMBL7057731 0.85 MMP9 (0.55) ALDH1A1MMP1MMP13MMP8MMP3
SCHEMBL7059363 0.83 MMP9 (0.53) MMP1MMP13MMP3MMP7MMP9
SCHEMBL7352466 0.83 MMP3 (0.42) ALDH1A1MMP1MMP13MMP8MMP3
SCHEMBL7056117 0.83 MMP3 (0.45) ALDH1A1MMP1MMP13MMP8MMP3
SCHEMBL7052925 0.82 GAA (0.44) ALDH1A1USP2MMP1MMP13HTT
SCHEMBL7057061 0.81 MMP9 (0.45) ALDH1A1MMP1MMP13MMP8MMP3
SCHEMBL7054506 0.81 GAA (0.43) ALDH1A1MMP1MMP13HTTGAA
SCHEMBL7056006 0.80 MMP1 (0.51) ALDH1A1MMP1MMP13MMP3MMP7
SCHEMBL7059354 0.80 MMP3 (0.42) ALDH1A1MMP1MMP13HTTGAA

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 ALDH1A1 281/4885USP2 1159/4885MMP1 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.