SCHEMBL7056949

SCHEMBL7056949

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
MMP13 P45452 5/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TRPA1 O75762 2/20 0.32
MMP8 P22894 1/20 0.32
MMP12 P39900 1/20 0.32
KCNQ1 P51787 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31
MMP1 P03956 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
SCHEMBL7058573 0.94 MMP13 (0.35) SMN1; SMN2MMP13HCRTR1HCRTR2ALDH1A1
SCHEMBL7057619 0.93 ALDH1A1 (0.36) MMP13HCRTR1HCRTR2ALDH1A1MMP1
SCHEMBL7055859 0.92 MMP13 (0.39) SMN1; SMN2MMP13HCRTR1HCRTR2ALDH1A1
SCHEMBL7060386 0.91 SMN1; SMN2 (0.35) SMN1; SMN2MMP13HCRTR1HCRTR2ALDH1A1
SCHEMBL7059651 0.91 MMP13 (0.45) MMP13MMP1
SCHEMBL7352706 0.90 MMP13 (0.34) SMN1; SMN2MMP13HCRTR1HCRTR2ALDH1A1
SCHEMBL7345782 0.88 SMN1; SMN2 (0.33) SMN1; SMN2MMP13HCRTR1HCRTR2ALDH1A1
SCHEMBL7685364 0.88 SMN1; SMN2 (0.33) SMN1; SMN2MMP13HCRTR1HCRTR2ALDH1A1
SCHEMBL7061603 0.88 MMP13 (0.38) SMN1; SMN2MMP13HCRTR1HCRTR2ALDH1A1
SCHEMBL7346639 0.87 MMP13 (0.31) SMN1; SMN2MMP13KMT2A

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 2584/4885MMP13 14/4885HCRTR1 772/4885

“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.