SCHEMBL7059237

SCHEMBL7059237

O=C(NOC1CCCCO1)[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CCN1S(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)s1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.36
MMP13 P45452 3/20 0.36
KDM1A O60341 1/20 0.34
MDM2 Q00987 1/20 0.33
F10 P00742 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
TRPA1 O75762 3/20 0.32
BRD4 O60885 1/20 0.31
SCN9A Q15858 2/20 0.31
KCNQ1 P51787 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31
MMP9 P14780 1/20 0.31
MCHR1 Q99705 3/20 0.31
P2RY14 Q15391 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL7052704 0.94 SMN1; SMN2 (0.33) MMP1MMP13F10HCRTR1HCRTR2
SCHEMBL7053097 0.93 MMP13 (0.34) MMP1MMP13F10HCRTR1HCRTR2
SCHEMBL7055311 0.92 PSEN1 (0.34) MMP1MMP13F10MMP3MMP7
SCHEMBL7058134 0.90 MMP13 (0.42) MMP1MMP13MMP3MMP7MMP9
SCHEMBL7059791 0.84 MMP13 (0.41) MMP1MMP13KDM1AMDM2F10
SCHEMBL7060656 0.82 MMP13 (0.39) MMP1MMP13MMP3MMP7MMP9
SCHEMBL7059681 0.82 MMP13 (0.40) MMP1MMP13HCRTR1HCRTR2TRPA1
SCHEMBL7058210 0.81 MMP13 (0.39) MMP1MMP13HCRTR1HCRTR2MMP3
SCHEMBL7345274 0.81 CHRM3 (0.34) MMP1MMP13MMP3MMP7MMP9
SCHEMBL7059229 0.80 MMP13 (0.40) MMP1MMP13HCRTR1HCRTR2TRPA1

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 MMP1 2/4885MMP13 14/4885KDM1A 746/4885

“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.