SCHEMBL7056675

SCHEMBL7056675

O=C(NOC1CCCCO1)[C@H]1CN(S(=O)(=O)CCC(S)c2nc[nH]n2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)s1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MMP13 P45452 8/20 0.32
MMP1 P03956 4/20 0.32
ALDH1A1 P00352 1/20 0.32
MMP8 P22894 2/20 0.30
MMP3 P08254 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
USP30 Q70CQ3 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
SCHEMBL7059640 0.94 KMT2A (0.33) KMT2AMEN1MMP13
SCHEMBL7346636 0.94 MMP13 (0.32) KMT2AMEN1MMP13
SCHEMBL7058725 0.92 MMP13 (0.41) MMP13MMP1MMP3
SCHEMBL7056677 0.86 KMT2A (0.33) KMT2AMEN1MMP13ALDH1A1MMP8
Hydrochloric Acid SCHEMBL7056474 0.86 MMP3 (0.38) MMP13MMP1MMP8MMP3
SCHEMBL7057619 0.85 ALDH1A1 (0.36) KMT2AMEN1MMP13MMP1ALDH1A1
SCHEMBL7054421 0.84 ALDH1A1 (0.36) KMT2AMEN1MMP13MMP1ALDH1A1
SCHEMBL7059005 0.84 ALDH1A1 (0.36) KMT2AMEN1MMP13ALDH1A1MMP8
SCHEMBL7060309 0.83 ALDH1A1 (0.38) KMT2AMEN1MMP1ALDH1A1MMP8
SCHEMBL7060190 0.83 KMT2A (0.31) KMT2AMEN1MMP13MMP1ALDH1A1

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 3998/4885MMP13 14/4885

“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.