SCHEMBL7058573

SCHEMBL7058573

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.35
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 2/20 0.33
MMP8 P22894 1/20 0.32
MMP12 P39900 1/20 0.32
GAA P10253 1/20 0.32
KCNQ1 P51787 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 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
SCHEMBL7056949 0.94 SMN1; SMN2 (0.35) MMP13ALDH1A1KMT2AMMP8MMP12
SCHEMBL7057619 0.94 ALDH1A1 (0.36) MMP13ALDH1A1KMT2AMEN1GAA
SCHEMBL7059651 0.92 MMP13 (0.45) MMP13
SCHEMBL7053089 0.88 MMP13 (0.38) MMP13ALDH1A1KMT2AMEN1MMP8
SCHEMBL7059643 0.88 KMT2A (0.33) MMP13KMT2AMEN1
SCHEMBL7351592 0.88 MEN1 (0.31) MMP13KMT2AMEN1
SCHEMBL7059005 0.86 ALDH1A1 (0.36) MMP13ALDH1A1KMT2AMEN1MMP8
SCHEMBL7054421 0.86 ALDH1A1 (0.36) MMP13ALDH1A1KMT2AMEN1MMP8
SCHEMBL7057805 0.86 MAPK9 (0.33) MMP13SMN1; SMN2HTTNPSR1LMNA
SCHEMBL7057127 0.86 KMT2A (0.35) MMP13ALDH1A1KMT2AMEN1MMP8

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 MMP13 14/4885ALDH1A1 281/4885KMT2A 1432/4885

“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.