SCHEMBL7057583

SCHEMBL7057583

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MMP1 P03956 3/20 0.33
MMP13 P45452 3/20 0.33
MMP3 P08254 2/20 0.33
MMP7 P09237 2/20 0.33
MMP9 P14780 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
TRPA1 O75762 2/20 0.32
CYP2C9 P11712 1/20 0.32
EPHX2 P34913 1/20 0.32
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
KMT2A Q03164 1/20 0.31
MMP8 P22894 1/20 0.31
MMP12 P39900 1/20 0.31

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
SCHEMBL7055747 0.94 MMP13 (0.37) SMN1; SMN2MAPTTDP1MMP1MMP13
SCHEMBL7056174 0.92 SMN1; SMN2 (0.38) SMN1; SMN2MAPTTDP1MMP1MMP13
SCHEMBL7060239 0.91 SMN1; SMN2 (0.37) SMN1; SMN2MAPTTDP1MMP1MMP13
SCHEMBL7058252 0.91 SMN1; SMN2 (0.37) SMN1; SMN2MAPTTDP1MMP1MMP13
SCHEMBL7059076 0.90 SMN1; SMN2 (0.36) SMN1; SMN2MAPTTDP1MMP1MMP13
SCHEMBL7060255 0.89 ALDH1A1 (0.38) SMN1; SMN2MAPTTDP1MMP1MMP13
SCHEMBL7057678 0.88 PAX8 (0.39) SMN1; SMN2TDP1ALDH1A1HCRTR1HCRTR2
SCHEMBL7056073 0.88 SMN1; SMN2 (0.36) SMN1; SMN2MAPTTDP1MMP1MMP13
SCHEMBL7058722 0.87 HCRTR1 (0.41) SMN1; SMN2MAPTMMP1MMP13MMP3
SCHEMBL7060656 0.87 MMP13 (0.39) SMN1; SMN2MMP1MMP13MMP3MMP7

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 SMN1; SMN2 2584/4885MAPT 4353/4885TDP1 3820/4885

“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.