SCHEMBL7056747

SCHEMBL7056747

CC(C)(C)ONC(=O)[C@H]1CN(S(=O)(=O)CCNS(C)(=O)=O)CCN1S(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)s1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.39
MMP1 P03956 3/20 0.39
P2RY14 Q15391 8/20 0.38
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
TRPA1 O75762 1/20 0.35
KCNQ1 P51787 1/20 0.35
MMP3 P08254 2/20 0.34
MMP7 P09237 2/20 0.34
MMP9 P14780 2/20 0.34
KDM1A O60341 1/20 0.33
GAA P10253 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
SCHEMBL7149159 0.92 MMP13 (0.35) MMP13MMP1KCNQ1MMP3MMP7
SCHEMBL7149164 0.92 MMP13 (0.35) MMP13MMP1KCNQ1MMP3MMP7
SCHEMBL7056096 0.91 MMP13 (0.35) MMP13MMP1KCNQ1MMP3MMP7
SCHEMBL7053839 0.91 GAA (0.40) MMP13MMP1GAA
SCHEMBL7052651 0.90 MMP1 (0.40) MMP13MMP1P2RY14TP53THRB
SCHEMBL7057739 0.90 MMP13 (0.45) MMP13MMP1MMP3MMP7MMP9
SCHEMBL7051941 0.84 RAB9A (0.35) MMP13MMP1THRBMMP3MMP7
SCHEMBL7059119 0.84 MMP13 (0.35) MMP13MMP1MMP3MMP7MMP9
SCHEMBL7051962 0.83 RAB9A (0.41) TP53THRBGAA
SCHEMBL7057133 0.82 MEN1 (0.36) MMP13MMP1TP53KCNQ1MMP3

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 14/4885MMP1 2/4885P2RY14 2897/4885

“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.