SCHEMBL7056677

SCHEMBL7056677

O=C(NOC1CCCCO1)[C@H]1CN(S(=O)(=O)CCCSc2nc[nH]n2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)s1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MMP13 P45452 1/20 0.32
MMP8 P22894 2/20 0.30
MMP3 P08254 1/20 0.30

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
SCHEMBL7346639 0.94 MMP13 (0.31) KMT2AMMP13
SCHEMBL7059643 0.94 KMT2A (0.33) KMT2AMEN1MMP13
SCHEMBL7058728 0.92 MMP13 (0.40) MMP13MMP3
SCHEMBL7060192 0.89 GRIN2B (0.32) KMT2AMEN1ALDH1A1MMP13MMP3
SCHEMBL7657258 0.88 F2 (0.32) KMT2AMEN1ALDH1A1MMP13MMP8
SCHEMBL7057176 0.88 F2 (0.32) KMT2AMEN1ALDH1A1MMP13MMP8
SCHEMBL7057619 0.87 ALDH1A1 (0.36) KMT2AMEN1ALDH1A1MMP13
SCHEMBL7056675 0.86 KMT2A (0.33) KMT2AMEN1ALDH1A1MMP13MMP8
SCHEMBL7059005 0.86 ALDH1A1 (0.36) KMT2AMEN1ALDH1A1MMP13MMP8
SCHEMBL7054421 0.86 ALDH1A1 (0.36) KMT2AMEN1ALDH1A1MMP13MMP8

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 3 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

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 KMT2A 1432/4885MEN1 3998/4885ALDH1A1 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.