SCHEMBL7053086

SCHEMBL7053086

O=C(NO)[C@H]1CN(S(=O)(=O)c2cccnc2)CCN1S(=O)(=O)c1ccc(-c2ccc(F)cc2)s1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
MMP3 P08254 4/20 0.44
MMP1 P03956 3/20 0.44
MMP7 P09237 3/20 0.44
MMP9 P14780 3/20 0.44
MMP13 P45452 3/20 0.44
SCN9A Q15858 1/20 0.43
POLB P06746 1/20 0.43
MMP8 P22894 2/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL7346270 0.84 ALDH1A1 (0.43) ALDH1A1SCN9APOLBTSHR
SCHEMBL7053604 0.83 RAB9A (0.41) MMP3MMP1MMP7MMP9MMP13
SCHEMBL7056106 0.83 MMP3 (0.53) MMP3MMP1MMP7MMP9MMP13
SCHEMBL7052830 0.82 MMP3 (0.52) MMP3MMP1MMP7MMP9MMP13
Hydrochloric Acid SCHEMBL7053243 0.81 NAMPT (0.46) MMP3MMP1MMP7MMP9MMP13
Hydrochloric Acid SCHEMBL7055870 0.81 MMP1 (0.45) MMP3MMP1MMP7MMP9MMP13
Hydrochloric Acid SCHEMBL7053241 0.81 NAMPT (0.46) MMP3MMP1MMP7MMP9MMP13
SCHEMBL7057724 0.81 MMP3 (0.39) MMP3MMP1MMP7MMP9MMP13
SCHEMBL7053684 0.81 MMP3 (0.43) MMP3MMP1MMP7MMP9MMP13
SCHEMBL7059250 0.81 MMP3 (0.41) ALDH1A1MMP3MMP1MMP7MMP9

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 4 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-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 ALDH1A1 281/4885MMP3 7/4885MMP1 2/4885

“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.