SCHEMBL7059261

SCHEMBL7059261

O=C(NOC1CCCCO1)[C@H]1CN(S(=O)(=O)CCCN2CCCCC2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)s1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.37
ALDH1A1 P00352 3/20 0.36
HTR4 Q13639 4/20 0.35
ACKR3 P25106 1/20 0.34
MMP13 P45452 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL7054603 0.95 IKBKB (0.38) IKBKBALDH1A1HTR4ACKR3MMP13
SCHEMBL7060386 0.93 SMN1; SMN2 (0.35) IKBKBALDH1A1HTR4MMP13HCRTR1
SCHEMBL7057619 0.91 ALDH1A1 (0.36) ALDH1A1MMP13HCRTR1HCRTR2
SCHEMBL7054421 0.91 ALDH1A1 (0.36) ALDH1A1MMP13HCRTR1HCRTR2
SCHEMBL7059005 0.91 ALDH1A1 (0.36) ALDH1A1MMP13HCRTR1HCRTR2
SCHEMBL7056557 0.88 ALDH1A1 (0.34) ALDH1A1MMP13
SCHEMBL7053151 0.87 SMN1; SMN2 (0.34) ALDH1A1MMP13HCRTR1HCRTR2
SCHEMBL7056766 0.87 ALDH1A1 (0.34) ALDH1A1MMP13HCRTR1HCRTR2
SCHEMBL7056965 0.87 ALDH1A1 (0.40) ALDH1A1MMP13HCRTR1HCRTR2
SCHEMBL7060241 0.86 MMP8 (0.36) ALDH1A1MMP13

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 IKBKB 48/4885ALDH1A1 281/4885HTR4 623/4885

“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.