SCHEMBL7058098

SCHEMBL7058098

CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)[C@@H](C(=O)NOC2CCCCO2)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MMP13 P45452 4/20 0.46
MMP8 P22894 1/20 0.46
MMP12 P39900 1/20 0.46
MMP1 P03956 3/20 0.41
MMP9 P14780 3/20 0.41
MMP3 P08254 2/20 0.41
MMP7 P09237 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 1/20 0.40
ADAM17 P78536 1/20 0.37
TRPA1 O75762 1/20 0.37
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.35
EPHX2 P34913 1/20 0.35
PKM P14618 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
SCHEMBL7054703 0.90 HCRTR1 (0.45) ALDH1A1MMP13MMP1MMP9MMP3
SCHEMBL7053089 0.89 MMP13 (0.38) ALDH1A1MMP13MMP8MMP12MMP1
SCHEMBL7058978 0.87 ALDH1A1 (0.40) ALDH1A1MMP13MMP1MMP9MMP3
SCHEMBL7056530 0.86 MMP13 (0.39) ALDH1A1MMP13MMP1MMP9MMP3
SCHEMBL7061603 0.86 MMP13 (0.38) ALDH1A1MMP13MMP8MMP12MMP1
SCHEMBL7351363 0.86 MMP8 (0.46) ALDH1A1MMP13MMP8MMP1MMP9
SCHEMBL7057164 0.86 ALDH1A1 (0.39) ALDH1A1MMP13MMP1MMP9MMP3
SCHEMBL7054275 0.86 MMP13 (0.38) ALDH1A1MMP13MMP8MMP1MMP9
SCHEMBL7059067 0.85 MMP1 (0.49) MMP13MMP8MMP1MMP9MMP3
SCHEMBL7059179 0.84 MMP13 (0.37) ALDH1A1MMP13MMP8MMP1MMP9

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 ALDH1A1 151/4885MMP13 14/4885MMP8 18/4885
US-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF MMP2, MMP1, TNF ALDH1A1 281/4885MMP13 14/4885MMP8 19/4885

“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.