SCHEMBL7059092

SCHEMBL7059092

O=C(NOC1CCCCO1)[C@H]1CN(S(=O)(=O)c2ccc(-c3ccon3)s2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)s1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 4/20 0.48
MMP3 P08254 2/20 0.48
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.42
PFKFB3 Q16875 1/20 0.39
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL7351363 0.90 MMP8 (0.46) MMP8MMP3ALDH1A1KMT2APOLB
SCHEMBL7058978 0.88 ALDH1A1 (0.40) MMP3ALDH1A1KMT2AHCRTR1HCRTR2
SCHEMBL7057164 0.87 ALDH1A1 (0.39) MMP3ALDH1A1HCRTR1HCRTR2
SCHEMBL7056965 0.87 ALDH1A1 (0.40) MMP8MMP3ALDH1A1KMT2APOLB
SCHEMBL7057502 0.86 ALDH1A1 (0.38) ALDH1A1KMT2APOLBHCRTR1HCRTR2
SCHEMBL7051949 0.84 MMP8 (0.65) MMP8MMP3ALDH1A1KMT2APOLB
SCHEMBL7054421 0.83 ALDH1A1 (0.36) MMP8MMP3ALDH1A1KMT2AMAPT
SCHEMBL7057619 0.83 ALDH1A1 (0.36) ALDH1A1KMT2AHCRTR1HCRTR2
SCHEMBL7059005 0.83 ALDH1A1 (0.36) MMP8MMP3ALDH1A1KMT2AMAPT
SCHEMBL7058210 0.83 MMP13 (0.39) MMP3ALDH1A1KMT2APOLBHCRTR1

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 MMP8 19/4885MMP3 7/4885ALDH1A1 281/4885

“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.