SCHEMBL7053601

SCHEMBL7053601

O=C(CCCS(=O)(=O)Cl)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
ALDH1A1 P00352 4/20 0.53
MAPK1 P28482 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
TDP1 Q9NUW8 2/20 0.45
KMT2A Q03164 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
CDC25B P30305 1/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
HTT P42858 1/20 0.43
GAA P10253 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL15412814 0.94 LMNA (0.52) LMNAALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL1290933 0.85 CA12 (0.53) LMNAALDH1A1MAPK1L3MBTL1POLB
SCHEMBL394046 0.84 LMNA (0.55) LMNAALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL18673 0.83 ALDH1A1 (0.68) LMNAALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL3963428 0.83 ALDH1A1 (0.68) LMNAALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL2926392 0.81 ALDH1A1 (0.66) LMNAALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL118235 0.81 ALDH1A1 (0.66) LMNAALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL28434793 0.81 ALDH1A1 (0.66) LMNAALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL20624816 0.81 ALDH1A1 (0.66) LMNAALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL28600680 0.81 ALDH1A1 (0.66) LMNAALDH1A1MAPK1L3MBTL1TDP1

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 13 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-0641439-B1 REAGENTS AND METHODS FOR THE QUANTIFICATION OF IMIPRAMINE OR DESIPRAMINE IN BIOLOGICAL FLUIDS ABBOTT LAB (US) 2000-09-13 EP disclosed
EP-0948489-A1 PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-13 EP disclosed
EP-0876616-A2 REAGENTS FOR MEASURING LEAD LEVELS VIA THE QUANTIFICATION OF PORPHOBILINOGEN Abbott Laboratories (US) 1998-11-11 EP disclosed
WO-1998027069-A1 PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-25 WO disclosed
WO-1997024621-A2 REAGENTS FOR MEASURING LEAD LEVELS VIA THE QUANTIFICATION OF PORPHOBILINOGEN ABBOTT LABORATORIES (US) 1997-07-10 WO disclosed
US-5578500-A Reagents and methods for the quantification of imipramine or desipramine in biological fluids ABBOTT LABORATORIES (US) 1996-11-26 US disclosed
EP-0641439-A4 REAGENTS AND METHODS FOR THE QUANTIFICATION OF IMIPRAMINE OR DESIPRAMINE IN BIOLOGICAL FLUIDS. ABBOTT LAB (US) 1996-08-28 EP disclosed
EP-0641439-A1 REAGENTS AND METHODS FOR THE QUANTIFICATION OF IMIPRAMINE OR DESIPRAMINE IN BIOLOGICAL FLUIDS ABBOTT LABORATORIES (US) 1995-03-08 EP disclosed
US-5340750-A Reagents and methods for the quantification of imipramine or desipramine in biological fluids ABBOTT LABORATORIES (US) 1994-08-23 US disclosed
WO-1993003371-A1 REAGENTS AND METHODS FOR THE QUANTIFICATION OF IMIPRAMINE OR DESIPRAMINE IN BIOLOGICAL FLUIDS ABBOTT LABORATORIES (US) 1993-02-18 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 LMNA 1832/4885ALDH1A1 281/4885MAPK1 339/4885

“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.