SCHEMBL7060171

SCHEMBL7060171

CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)s2)[C@@H](C(=O)NOC2CCCCO2)C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.36
KCNQ1 P51787 2/20 0.35
HSD11B1 P28845 2/20 0.33
KMT2A Q03164 1/20 0.32
MMP13 P45452 3/20 0.31
ALDH1A1 P00352 2/20 0.31
EPHX2 P34913 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31
MMP9 P14780 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
POLB P06746 1/20 0.30
CTSC P53634 1/20 0.30
GPR6 P46095 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
SCHEMBL7059678 0.92 MMP13 (0.37) MCHR1KCNQ1HSD11B1KMT2AMMP13
SCHEMBL7055796 0.91 KMT2A (0.31) KMT2AMMP13ALDH1A1
SCHEMBL7052572 0.91 SMN1; SMN2 (0.35) MCHR1KCNQ1KMT2AMMP13ALDH1A1
SCHEMBL7057127 0.91 KMT2A (0.35) MCHR1KCNQ1KMT2AMMP13ALDH1A1
SCHEMBL7057502 0.91 ALDH1A1 (0.38) KMT2AMMP13ALDH1A1MMP1HCRTR1
SCHEMBL7352584 0.90 MMP13 (0.42) MMP13MMP1MMP3MMP7MMP9
SCHEMBL7059375 0.89 LMNA (0.40) MCHR1KCNQ1KMT2AMMP13MMP1
SCHEMBL7053127 0.89 MMP13 (0.33) KCNQ1KMT2AMMP13ALDH1A1MAPT
SCHEMBL7962944 0.87 ALDH1A1 (0.32) KMT2AMMP13ALDH1A1
SCHEMBL7054787 0.85 HSD17B2 (0.34) KMT2AMMP13ALDH1A1MAPTMMP1

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 MCHR1 2840/4885KCNQ1 4321/4885HSD11B1 417/4885

“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.